5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid

C14H19ClN2O2 — CID 104690120

IUPAC5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid
SMILESCCC1CCCCCN1c1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-2-11-6-4-3-5-7-17(11)13-12(15)8-10(9-16-13)14(18)19/h8-9,11H,2-7H2,1H3,(H,18,19)
InChIKeyDRRFDXPEQQUFOS-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.59
Rot. Bonds3

About 5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid

5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid (PubChem CID 104690120) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid
PubChem CID104690120
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid
SMILESCCC1CCCCCN1c1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-2-11-6-4-3-5-7-17(11)13-12(15)8-10(9-16-13)14(18)19/h8-9,11H,2-7H2,1H3,(H,18,19)
InChIKeyDRRFDXPEQQUFOS-UHFFFAOYSA-N
XLogP3.59
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 133381373
5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43187330
[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol
CID 104691283
5-methyl-6-(2-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 83055806
5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine
CID 103583016
[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 62299264
N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263083
N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264300
2-(chloromethyl)-1-(3,5-dichloro-2-pyridinyl)azepane
CID 116638899
(6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 62155962
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
[1-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 116637093

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid (CID 104690120) is 5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid is CCC1CCCCCN1c1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid?
The InChIKey is DRRFDXPEQQUFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-11-6-4-3-5-7-17(11)13-12(15)8-10(9-16-13)14(18)19/h8-9,11H,2-7H2,1H3,(H,18,19).
What are the key properties of 5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid?
5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 3.59, 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)pyridine-3-carboxylic acid is sourced from PubChem (CID 104690120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).