6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide

C14H9ClN2O — CID 62233805

IUPAC6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide
SMILESC#Cc1cccc(NC(=O)c2cccc(Cl)n2)c1
InChIInChI=1S/C14H9ClN2O/c1-2-10-5-3-6-11(9-10)16-14(18)12-7-4-8-13(15)17-12/h1,3-9H,(H,16,18)
InChIKeyKSNYDRVYMNXDQD-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.97
Rot. Bonds2

About 6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide

6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide (PubChem CID 62233805) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide
PubChem CID62233805
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide
SMILESC#Cc1cccc(NC(=O)c2cccc(Cl)n2)c1
InChIInChI=1S/C14H9ClN2O/c1-2-10-5-3-6-11(9-10)16-14(18)12-7-4-8-13(15)17-12/h1,3-9H,(H,16,18)
InChIKeyKSNYDRVYMNXDQD-UHFFFAOYSA-N
XLogP2.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
CID 62234924
6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347
N-(3-ethynylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47443678
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
6-[(3-ethynylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453019
2-amino-N-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide
CID 55116246
5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide
CID 81316402
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 65345876
2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide
CID 51330118
4-bromo-2-chloro-N-(3-ethynylphenyl)benzamide
CID 47278272
2-(1-aminoethyl)-N-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide
CID 66373632

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide (CID 62233805) is 6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide is C#Cc1cccc(NC(=O)c2cccc(Cl)n2)c1.
What is the InChIKey of 6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide?
The InChIKey is KSNYDRVYMNXDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c1-2-10-5-3-6-11(9-10)16-14(18)12-7-4-8-13(15)17-12/h1,3-9H,(H,16,18).
What are the key properties of 6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide?
6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62233805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).