3-ethylpyridine-2-carboxylic acid;hydrochloride

C8H10ClNO2 — CID 71757728

IUPAC3-ethylpyridine-2-carboxylic acid;hydrochloride
SMILESCCc1cccnc1C(=O)O.Cl
InChIInChI=1S/C8H9NO2.ClH/c1-2-6-4-3-5-9-7(6)8(10)11;/h3-5H,2H2,1H3,(H,10,11);1H
InChIKeyKCPZOENCUXTBDP-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.76
Rot. Bonds2

About 3-ethylpyridine-2-carboxylic acid;hydrochloride

3-ethylpyridine-2-carboxylic acid;hydrochloride (PubChem CID 71757728) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 3-ethylpyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-ethylpyridine-2-carboxylic acid;hydrochloride
PubChem CID71757728
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name3-ethylpyridine-2-carboxylic acid;hydrochloride
SMILESCCc1cccnc1C(=O)O.Cl
InChIInChI=1S/C8H9NO2.ClH/c1-2-6-4-3-5-9-7(6)8(10)11;/h3-5H,2H2,1H3,(H,10,11);1H
InChIKeyKCPZOENCUXTBDP-UHFFFAOYSA-N
XLogP1.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-ethylpyridine-2-carboxylic acid;hydrochloride (CID 71757728) is 3-ethylpyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-ethylpyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-ethylpyridine-2-carboxylic acid;hydrochloride is CCc1cccnc1C(=O)O.Cl.
What is the InChIKey of 3-ethylpyridine-2-carboxylic acid;hydrochloride?
The InChIKey is KCPZOENCUXTBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.ClH/c1-2-6-4-3-5-9-7(6)8(10)11;/h3-5H,2H2,1H3,(H,10,11);1H.
What are the key properties of 3-ethylpyridine-2-carboxylic acid;hydrochloride?
3-ethylpyridine-2-carboxylic acid;hydrochloride has a molecular weight of 187.63 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 71757728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).