[7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridin-3-yl]methanol

C14H14ClF2N3O — CID 168932056

IUPAC[7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridin-3-yl]methanol
SMILESOCc1cc2cnc(Cl)cc2c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H14ClF2N3O/c15-12-6-11-9(7-18-12)5-10(8-21)19-13(11)20-3-1-14(16,17)2-4-20/h5-7,21H,1-4,8H2
InChIKeyOXFUFDFFLQMUJF-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.01
Rot. Bonds2

About [7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridin-3-yl]methanol

[7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridin-3-yl]methanol (PubChem CID 168932056) has the molecular formula C14H14ClF2N3O and a molecular weight of 313.74 g/mol. Its IUPAC name is [7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridin-3-yl]methanol.

Molecular Properties

Compound Name[7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridin-3-yl]methanol
PubChem CID168932056
Molecular FormulaC14H14ClF2N3O
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC Name[7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridin-3-yl]methanol
SMILESOCc1cc2cnc(Cl)cc2c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H14ClF2N3O/c15-12-6-11-9(7-18-12)5-10(8-21)19-13(11)20-3-1-14(16,17)2-4-20/h5-7,21H,1-4,8H2
InChIKeyOXFUFDFFLQMUJF-UHFFFAOYSA-N
XLogP3.01
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine
CID 121204880
methyl 6-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylate
CID 172868881
5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine
CID 167713490
tert-butyl 2-[5-chloro-6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]acetate
CID 162705249
6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide
CID 162444317
5-chloro-2-(4,4-difluoroazepan-1-yl)-4-fluoropyridine-3-carboxylic acid
CID 169123746
[4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol
CID 167426462
1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine
CID 170331623
[(1R)-1-(7-chloro-1-piperidin-1-yl-2,6-naphthyridin-3-yl)ethyl] benzoate
CID 170188116
3,7-dichloro-5-fluoroisoquinoline
CID 142492499
1-[6-chloro-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 135181401
[5-chloro-2-(4,4-difluoroazepan-1-yl)-6-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 169248995

Frequently Asked Questions

What is the IUPAC name of [7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridin-3-yl]methanol?
The IUPAC name of [7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridin-3-yl]methanol (CID 168932056) is [7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridin-3-yl]methanol.
What is the SMILES notation for [7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridin-3-yl]methanol?
The canonical SMILES for [7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridin-3-yl]methanol is OCc1cc2cnc(Cl)cc2c(N2CCC(F)(F)CC2)n1.
What is the InChIKey of [7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridin-3-yl]methanol?
The InChIKey is OXFUFDFFLQMUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3O/c15-12-6-11-9(7-18-12)5-10(8-21)19-13(11)20-3-1-14(16,17)2-4-20/h5-7,21H,1-4,8H2.
What are the key properties of [7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridin-3-yl]methanol?
[7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridin-3-yl]methanol has a molecular weight of 313.74 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridin-3-yl]methanol is sourced from PubChem (CID 168932056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).