[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol

C14H21ClN2O — CID 104691283

IUPAC[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol
SMILESCCC1CCCCCN1c1ncc(CO)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-2-12-6-4-3-5-7-17(12)14-13(15)8-11(10-18)9-16-14/h8-9,12,18H,2-7,10H2,1H3
InChIKeyUAZMFUUAMRSUDT-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.39
Rot. Bonds3

About [5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol

[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol (PubChem CID 104691283) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol
PubChem CID104691283
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol
SMILESCCC1CCCCCN1c1ncc(CO)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-2-12-6-4-3-5-7-17(12)14-13(15)8-11(10-18)9-16-14/h8-9,12,18H,2-7,10H2,1H3
InChIKeyUAZMFUUAMRSUDT-UHFFFAOYSA-N
XLogP3.39
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 116637093
[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 62299264
5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid
CID 104690120
[6-(2-ethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80631427
5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine
CID 103583016
[5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 133381373
[5-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]methanol
CID 63633970
2-(chloromethyl)-1-(3,5-dichloro-2-pyridinyl)azepane
CID 116638899
[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine
CID 104690773
5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine
CID 104693085
[2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol
CID 104691301
[4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol
CID 104691289

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol (CID 104691283) is [5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol is CCC1CCCCCN1c1ncc(CO)cc1Cl.
What is the InChIKey of [5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol?
The InChIKey is UAZMFUUAMRSUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-2-12-6-4-3-5-7-17(12)14-13(15)8-11(10-18)9-16-14/h8-9,12,18H,2-7,10H2,1H3.
What are the key properties of [5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol?
[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol has a molecular weight of 268.79 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 104691283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).