2-chloro-N-(2-hydroxyphenyl)-4,6-dimethylpyridine-3-carboxamide

C14H13ClN2O2 — CID 4862041

IUPAC2-chloro-N-(2-hydroxyphenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)Nc2ccccc2O)c(Cl)n1
InChIInChI=1S/C14H13ClN2O2/c1-8-7-9(2)16-13(15)12(8)14(19)17-10-5-3-4-6-11(10)18/h3-7,18H,1-2H3,(H,17,19)
InChIKeyVHTZPSCGMCFOOO-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.31
Rot. Bonds2

About 2-chloro-N-(2-hydroxyphenyl)-4,6-dimethylpyridine-3-carboxamide

2-chloro-N-(2-hydroxyphenyl)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 4862041) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyphenyl)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyphenyl)-4,6-dimethylpyridine-3-carboxamide
PubChem CID4862041
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-chloro-N-(2-hydroxyphenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)Nc2ccccc2O)c(Cl)n1
InChIInChI=1S/C14H13ClN2O2/c1-8-7-9(2)16-13(15)12(8)14(19)17-10-5-3-4-6-11(10)18/h3-7,18H,1-2H3,(H,17,19)
InChIKeyVHTZPSCGMCFOOO-UHFFFAOYSA-N
XLogP3.31
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide
CID 4862033
N-(2-chloro-4,6-dimethyl-3-pyridinyl)-2-hydroxybenzamide
CID 15168931
2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 4862032
2,6-dihydroxy-N-(2-methylphenyl)benzamide
CID 113347043
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
4,6-dimethyl-N-(2-methylphenyl)pyridine-2-carboxamide
CID 19224338
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8510927
2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide
CID 107856629
N-(2-chlorophenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224329
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107688990
2-chloro-N-(2-ethylphenyl)-6-methylpyridine-4-carboxamide
CID 113378289

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyphenyl)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-hydroxyphenyl)-4,6-dimethylpyridine-3-carboxamide (CID 4862041) is 2-chloro-N-(2-hydroxyphenyl)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyphenyl)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyphenyl)-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(=O)Nc2ccccc2O)c(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-hydroxyphenyl)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is VHTZPSCGMCFOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-8-7-9(2)16-13(15)12(8)14(19)17-10-5-3-4-6-11(10)18/h3-7,18H,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-(2-hydroxyphenyl)-4,6-dimethylpyridine-3-carboxamide?
2-chloro-N-(2-hydroxyphenyl)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxyphenyl)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 4862041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).