5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine

C40H44Br2Cl2F12N8O4 — CID 160549452

IUPAC5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine
SMILESC1CCOC1.CC(C)(C)C(=O)Nc1cc(C(F)(F)F)c(Br)cn1.CC(C)(C)C(=O)Nc1cc(C(F)(F)F)c(C=O)cn1.ClCCl.Nc1cc(C(F)(F)F)c(Br)cn1.Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H13F3N2O2.C11H12BrF3N2O.C6H4BrF3N2.C6H5F3N2.C4H8O.CH2Cl2/c1-11(2,3)10(19)17-9-4-8(12(13,14)15)7(6-18)5-16-9;1-10(2,3)9(18)17-8-4-6(11(13,14)15)7(12)5-16-8;7-4-2-12-5(11)1-3(4)6(8,9)10;7-6(8,9)4-1-2-11-5(10)3-4;1-2-4-5-3-1;2-1-3/h4-6H,1-3H3,(H,16,17,19);4-5H,1-3H3,(H,16,17,18);1-2H,(H2,11,12);1-3H,(H2,10,11);1-4H2;1H2
InChIKeyQXWDGUQWGYVBFG-UHFFFAOYSA-N
MW1159.53 g/mol
LogP13.09
Rot. Bonds3

About 5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine

5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine (PubChem CID 160549452) has the molecular formula C40H44Br2Cl2F12N8O4 and a molecular weight of 1159.53 g/mol. Its IUPAC name is 5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine
PubChem CID160549452
Molecular FormulaC40H44Br2Cl2F12N8O4
Molecular Weight1159.53 g/mol
Exact Mass1156.10
IUPAC Name5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine
SMILESC1CCOC1.CC(C)(C)C(=O)Nc1cc(C(F)(F)F)c(Br)cn1.CC(C)(C)C(=O)Nc1cc(C(F)(F)F)c(C=O)cn1.ClCCl.Nc1cc(C(F)(F)F)c(Br)cn1.Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H13F3N2O2.C11H12BrF3N2O.C6H4BrF3N2.C6H5F3N2.C4H8O.CH2Cl2/c1-11(2,3)10(19)17-9-4-8(12(13,14)15)7(6-18)5-16-9;1-10(2,3)9(18)17-8-4-6(11(13,14)15)7(12)5-16-8;7-4-2-12-5(11)1-3(4)6(8,9)10;7-6(8,9)4-1-2-11-5(10)3-4;1-2-4-5-3-1;2-1-3/h4-6H,1-3H3,(H,16,17,19);4-5H,1-3H3,(H,16,17,18);1-2H,(H2,11,12);1-3H,(H2,10,11);1-4H2;1H2
InChIKeyQXWDGUQWGYVBFG-UHFFFAOYSA-N
XLogP13.09
TPSA188.10 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001159.53
LogP ≤ 513.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

5-bromopyridin-2-amine;5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;methane;4-(trifluoromethyl)benzaldehyde;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde
CID 158363593

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine (CID 160549452) is 5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine is C1CCOC1.CC(C)(C)C(=O)Nc1cc(C(F)(F)F)c(Br)cn1.CC(C)(C)C(=O)Nc1cc(C(F)(F)F)c(C=O)cn1.ClCCl.Nc1cc(C(F)(F)F)c(Br)cn1.Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QXWDGUQWGYVBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2.C11H12BrF3N2O.C6H4BrF3N2.C6H5F3N2.C4H8O.CH2Cl2/c1-11(2,3)10(19)17-9-4-8(12(13,14)15)7(6-18)5-16-9;1-10(2,3)9(18)17-8-4-6(11(13,14)15)7(12)5-16-8;7-4-2-12-5(11)1-3(4)6(8,9)10;7-6(8,9)4-1-2-11-5(10)3-4;1-2-4-5-3-1;2-1-3/h4-6H,1-3H3,(H,16,17,19);4-5H,1-3H3,(H,16,17,18);1-2H,(H2,11,12);1-3H,(H2,10,11);1-4H2;1H2.
What are the key properties of 5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine?
5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1159.53 g/mol, XLogP of 13.09, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 160549452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).