5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine

C37H50Cl4F4N8 — CID 158681367

IUPAC5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)Nc1ccc(C(F)(F)F)cn1.CCc1cc(Cl)cnc1NC(C)C.Cc1c(Cl)cnc(NC(C)C)c1F.Cc1nc(NC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C10H15ClN2.C9H12Cl2N2.C9H12ClFN2.C9H11F3N2/c1-4-8-5-9(11)6-12-10(8)13-7(2)3;1-5(2)12-9-8(11)4-7(10)6(3)13-9;1-5(2)13-9-8(11)6(3)7(10)4-12-9;1-6(2)14-8-4-3-7(5-13-8)9(10,11)12/h5-7H,4H2,1-3H3,(H,12,13);2*4-5H,1-3H3,(H,12,13);3-6H,1-2H3,(H,13,14)
InChIKeyIFEBALGJUKONPZ-UHFFFAOYSA-N
MW824.67 g/mol
LogP12.56
Rot. Bonds9

About 5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine

5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 158681367) has the molecular formula C37H50Cl4F4N8 and a molecular weight of 824.67 g/mol. Its IUPAC name is 5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID158681367
Molecular FormulaC37H50Cl4F4N8
Molecular Weight824.67 g/mol
Exact Mass822.28
IUPAC Name5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)Nc1ccc(C(F)(F)F)cn1.CCc1cc(Cl)cnc1NC(C)C.Cc1c(Cl)cnc(NC(C)C)c1F.Cc1nc(NC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C10H15ClN2.C9H12Cl2N2.C9H12ClFN2.C9H11F3N2/c1-4-8-5-9(11)6-12-10(8)13-7(2)3;1-5(2)12-9-8(11)4-7(10)6(3)13-9;1-5(2)13-9-8(11)6(3)7(10)4-12-9;1-6(2)14-8-4-3-7(5-13-8)9(10,11)12/h5-7H,4H2,1-3H3,(H,12,13);2*4-5H,1-3H3,(H,12,13);3-6H,1-2H3,(H,13,14)
InChIKeyIFEBALGJUKONPZ-UHFFFAOYSA-N
XLogP12.56
TPSA99.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.67
LogP ≤ 512.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[5-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725966
Cdk9-IN-2
CID 49855228
N-[5-Chloro-6-Methyl-2-(2-Pyridinyl)-4-Pyrimidinyl]-N'-[4-(Trifluoromethyl)-2-Pyridinyl]-1,2-Ethanediamine
CID 2725964
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4,6-dimethyl-2-pyridinyl)-1-piperazinecarbothioamide
CID 49853301
1-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 50906614
4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]pyrazin-2-yl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50907432
5'-chloro-N6-(3-fluorobenzyl)-N2'-((1R,3S)-3-((methylamino)methyl)cyclopentyl)-2,4'-bipyridine-2',6-diamine
CID 50907863
N2'-(trans-4-aminocyclohexyl)-5'-chloro-N6-(3,5-difluorobenzyl)-2,4'-bipyridine-2',6-diamine
CID 50908321
4-N-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50908322
N2'-((1R,3R)-3-aminocyclopentyl)-5'-chloro-N6-(3-fluorobenzyl)-2,4'-bipyridine-2',6-diamine
CID 58127237
5'-chloro-N6-(3-fluorobenzyl)-2,4'-bipyridine-2',6-diamine
CID 58127283
N2'-(trans-4-(aminomethyl)cyclohexyl)-5'-chloro-N6-(3-fluorobenzyl)-2,4'-bipyridine-2',6-diamine
CID 60142134

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine (CID 158681367) is 5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine is CC(C)Nc1ccc(C(F)(F)F)cn1.CCc1cc(Cl)cnc1NC(C)C.Cc1c(Cl)cnc(NC(C)C)c1F.Cc1nc(NC(C)C)c(Cl)cc1Cl.
What is the InChIKey of 5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IFEBALGJUKONPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2.C9H12Cl2N2.C9H12ClFN2.C9H11F3N2/c1-4-8-5-9(11)6-12-10(8)13-7(2)3;1-5(2)12-9-8(11)4-7(10)6(3)13-9;1-5(2)13-9-8(11)6(3)7(10)4-12-9;1-6(2)14-8-4-3-7(5-13-8)9(10,11)12/h5-7H,4H2,1-3H3,(H,12,13);2*4-5H,1-3H3,(H,12,13);3-6H,1-2H3,(H,13,14).
What are the key properties of 5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine?
5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 824.67 g/mol, XLogP of 12.56, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-N-propan-2-ylpyridin-2-amine;5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine;3,5-dichloro-6-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 158681367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).