2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane

C67H87Br3Cl2F13N11O7S3Sn — CID 163808316

IUPAC2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane
SMILESC=C(C)[Sn](CCCC)(CCCC)CCCC.CC(=O)c1nccc(C(F)F)c1F.CC(C)(C)S(N)=O.C[C@@H](N)c1nccc(C(F)F)c1F.C[C@@H](N[S@](=O)C(C)(C)C)c1nccc(C(F)F)c1F.Cn1c(=O)c(Br)cc2c(=O)[nH]cnc21.Fc1c(C(F)F)ccnc1Br.O=Cc1ccnc(Br)c1F.O=S(Cl)Cl
InChIInChI=1S/C12H17F3N2OS.C8H6BrN3O2.C8H9F3N2.C8H6F3NO.C6H3BrF3N.C6H3BrFNO.C4H11NOS.3C4H9.C3H5.Cl2OS.Sn/c1-7(17-19(18)12(2,3)4)10-9(13)8(11(14)15)5-6-16-10;1-12-6-4(2-5(9)8(12)14)7(13)11-3-10-6;1-4(12)7-6(9)5(8(10)11)2-3-13-7;1-4(13)7-6(9)5(8(10)11)2-3-12-7;7-5-4(8)3(6(9)10)1-2-11-5;7-6-5(8)4(3-10)1-2-9-6;1-4(2,3)7(5)6;3*1-3-4-2;1-3-2;1-4(2)3;/h5-7,11,17H,1-4H3;2-3H,1H3,(H,10,11,13);2-4,8H,12H2,1H3;2-3,8H,1H3;1-2,6H;1-3H;5H2,1-3H3;3*1,3-4H2,2H3;1H2,2H3;;/t7-,19-;;4-;;;;;;;;;;/m1.1........../s1
InChIKeyNLAAEWBWUQAOOM-ARMYQHIBSA-N
MW1931.01 g/mol
LogP20.31
Rot. Bonds20

About 2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane

2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane (PubChem CID 163808316) has the molecular formula C67H87Br3Cl2F13N11O7S3Sn and a molecular weight of 1931.01 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane
PubChem CID163808316
Molecular FormulaC67H87Br3Cl2F13N11O7S3Sn
Molecular Weight1931.01 g/mol
Exact Mass1927.17
IUPAC Name2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane
SMILESC=C(C)[Sn](CCCC)(CCCC)CCCC.CC(=O)c1nccc(C(F)F)c1F.CC(C)(C)S(N)=O.C[C@@H](N)c1nccc(C(F)F)c1F.C[C@@H](N[S@](=O)C(C)(C)C)c1nccc(C(F)F)c1F.Cn1c(=O)c(Br)cc2c(=O)[nH]cnc21.Fc1c(C(F)F)ccnc1Br.O=Cc1ccnc(Br)c1F.O=S(Cl)Cl
InChIInChI=1S/C12H17F3N2OS.C8H6BrN3O2.C8H9F3N2.C8H6F3NO.C6H3BrF3N.C6H3BrFNO.C4H11NOS.3C4H9.C3H5.Cl2OS.Sn/c1-7(17-19(18)12(2,3)4)10-9(13)8(11(14)15)5-6-16-10;1-12-6-4(2-5(9)8(12)14)7(13)11-3-10-6;1-4(12)7-6(9)5(8(10)11)2-3-13-7;1-4(13)7-6(9)5(8(10)11)2-3-12-7;7-5-4(8)3(6(9)10)1-2-11-5;7-6-5(8)4(3-10)1-2-9-6;1-4(2,3)7(5)6;3*1-3-4-2;1-3-2;1-4(2)3;/h5-7,11,17H,1-4H3;2-3H,1H3,(H,10,11,13);2-4,8H,12H2,1H3;2-3,8H,1H3;1-2,6H;1-3H;5H2,1-3H3;3*1,3-4H2,2H3;1H2,2H3;;/t7-,19-;;4-;;;;;;;;;;/m1.1........../s1
InChIKeyNLAAEWBWUQAOOM-ARMYQHIBSA-N
XLogP20.31
TPSA281.62 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001931.01
LogP ≤ 520.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane with MolForge

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Related Compounds

5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine
CID 162124053
2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;1-tributylstannylethanone
CID 157592748

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane?
The IUPAC name of 2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane (CID 163808316) is 2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane?
The canonical SMILES for 2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane is C=C(C)[Sn](CCCC)(CCCC)CCCC.CC(=O)c1nccc(C(F)F)c1F.CC(C)(C)S(N)=O.C[C@@H](N)c1nccc(C(F)F)c1F.C[C@@H](N[S@](=O)C(C)(C)C)c1nccc(C(F)F)c1F.Cn1c(=O)c(Br)cc2c(=O)[nH]cnc21.Fc1c(C(F)F)ccnc1Br.O=Cc1ccnc(Br)c1F.O=S(Cl)Cl.
What is the InChIKey of 2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane?
The InChIKey is NLAAEWBWUQAOOM-ARMYQHIBSA-N. The full InChI is InChI=1S/C12H17F3N2OS.C8H6BrN3O2.C8H9F3N2.C8H6F3NO.C6H3BrF3N.C6H3BrFNO.C4H11NOS.3C4H9.C3H5.Cl2OS.Sn/c1-7(17-19(18)12(2,3)4)10-9(13)8(11(14)15)5-6-16-10;1-12-6-4(2-5(9)8(12)14)7(13)11-3-10-6;1-4(12)7-6(9)5(8(10)11)2-3-13-7;1-4(13)7-6(9)5(8(10)11)2-3-12-7;7-5-4(8)3(6(9)10)1-2-11-5;7-6-5(8)4(3-10)1-2-9-6;1-4(2,3)7(5)6;3*1-3-4-2;1-3-2;1-4(2)3;/h5-7,11,17H,1-4H3;2-3H,1H3,(H,10,11,13);2-4,8H,12H2,1H3;2-3,8H,1H3;1-2,6H;1-3H;5H2,1-3H3;3*1,3-4H2,2H3;1H2,2H3;;/t7-,19-;;4-;;;;;;;;;;/m1.1........../s1.
What are the key properties of 2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane?
2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane has a molecular weight of 1931.01 g/mol, XLogP of 20.31, 20 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)-3-fluoropyridine;2-bromo-3-fluoropyridine-4-carbaldehyde;6-bromo-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanamine;1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone;(R)-N-[(1R)-1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;2-methylpropane-2-sulfinamide;thionyl dichloride;tributyl(prop-1-en-2-yl)stannane is sourced from PubChem (CID 163808316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).