2-chloro-N-ethylpyridine-3-carboxamide

C8H9ClN2O — CID 9182570

IUPAC2-chloro-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1Cl
InChIInChI=1S/C8H9ClN2O/c1-2-10-8(12)6-4-3-5-11-7(6)9/h3-5H,2H2,1H3,(H,10,12)
InChIKeyLAGOHZCKMJZGIY-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.48
Rot. Bonds2

About 2-chloro-N-ethylpyridine-3-carboxamide

2-chloro-N-ethylpyridine-3-carboxamide (PubChem CID 9182570) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-chloro-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-ethylpyridine-3-carboxamide
PubChem CID9182570
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-chloro-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1Cl
InChIInChI=1S/C8H9ClN2O/c1-2-10-8(12)6-4-3-5-11-7(6)9/h3-5H,2H2,1H3,(H,10,12)
InChIKeyLAGOHZCKMJZGIY-UHFFFAOYSA-N
XLogP1.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide
CID 174535756
2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
CID 71433413
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
2-chloro-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 170601971
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 31785131
2-chloro-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 55090733
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 53409120
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-ethylpyridine-3-carboxamide (CID 9182570) is 2-chloro-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-ethylpyridine-3-carboxamide is CCNC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-ethylpyridine-3-carboxamide?
The InChIKey is LAGOHZCKMJZGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-2-10-8(12)6-4-3-5-11-7(6)9/h3-5H,2H2,1H3,(H,10,12).
What are the key properties of 2-chloro-N-ethylpyridine-3-carboxamide?
2-chloro-N-ethylpyridine-3-carboxamide has a molecular weight of 184.63 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 9182570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).