6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine

C15H22ClF2N3 — CID 169249091

IUPAC6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine
SMILESCC(C)(C)c1nc(N2CCCC(F)(F)CC2)c(N)cc1Cl
InChIInChI=1S/C15H22ClF2N3/c1-14(2,3)12-10(16)9-11(19)13(20-12)21-7-4-5-15(17,18)6-8-21/h9H,4-8,19H2,1-3H3
InChIKeyFFHHUCCLUDCKEO-UHFFFAOYSA-N
MW317.81 g/mol
LogP4.24
Rot. Bonds1

About 6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine

6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine (PubChem CID 169249091) has the molecular formula C15H22ClF2N3 and a molecular weight of 317.81 g/mol. Its IUPAC name is 6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine
PubChem CID169249091
Molecular FormulaC15H22ClF2N3
Molecular Weight317.81 g/mol
Exact Mass317.15
IUPAC Name6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine
SMILESCC(C)(C)c1nc(N2CCCC(F)(F)CC2)c(N)cc1Cl
InChIInChI=1S/C15H22ClF2N3/c1-14(2,3)12-10(16)9-11(19)13(20-12)21-7-4-5-15(17,18)6-8-21/h9H,4-8,19H2,1-3H3
InChIKeyFFHHUCCLUDCKEO-UHFFFAOYSA-N
XLogP4.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(4,4-difluoroazepan-1-yl)-6-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 169248995
6,7-dichloro-3-(4,4-difluoroazepan-1-yl)quinoxaline-2-carboxylic acid
CID 169264551
2-(4,4-difluoroazepan-1-yl)-3-methylquinoline
CID 170369363
5-chloro-2-(4,4-difluoroazepan-1-yl)-4-fluoropyridine-3-carboxylic acid
CID 169123746
5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide
CID 146525962
1-[3-bromo-6-(trifluoromethyl)-2-pyridinyl]-4,4-difluoroazepane
CID 169249579
1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol
CID 114044014
2-(4,4-difluoroazepan-1-yl)-6,7-dimethoxyquinoline-3-carboxylic acid
CID 169264563
2-(4,4-difluoroazepan-1-yl)-7-fluoro-3-prop-1-en-2-ylquinoline
CID 170368069
methyl 3-(4,4-difluoroazepan-1-yl)quinoxaline-2-carboxylate
CID 169264265
1-(3,4-dichlorophenyl)-4,4-difluoropiperidine
CID 117007805
2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide
CID 169123805

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine?
The IUPAC name of 6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine (CID 169249091) is 6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine.
What is the SMILES notation for 6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine?
The canonical SMILES for 6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine is CC(C)(C)c1nc(N2CCCC(F)(F)CC2)c(N)cc1Cl.
What is the InChIKey of 6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine?
The InChIKey is FFHHUCCLUDCKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClF2N3/c1-14(2,3)12-10(16)9-11(19)13(20-12)21-7-4-5-15(17,18)6-8-21/h9H,4-8,19H2,1-3H3.
What are the key properties of 6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine?
6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine has a molecular weight of 317.81 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine is sourced from PubChem (CID 169249091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).