3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide

C13H11IN2O2 — CID 114256881

IUPAC3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide
SMILESCc1c(I)cccc1NC(=O)c1ccncc1O
InChIInChI=1S/C13H11IN2O2/c1-8-10(14)3-2-4-11(8)16-13(18)9-5-6-15-7-12(9)17/h2-7,17H,1H3,(H,16,18)
InChIKeyVFQQCAAMBPQIIK-UHFFFAOYSA-N
MW354.15 g/mol
LogP2.95
Rot. Bonds2

About 3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide

3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide (PubChem CID 114256881) has the molecular formula C13H11IN2O2 and a molecular weight of 354.15 g/mol. Its IUPAC name is 3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide
PubChem CID114256881
Molecular FormulaC13H11IN2O2
Molecular Weight354.15 g/mol
Exact Mass353.99
IUPAC Name3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide
SMILESCc1c(I)cccc1NC(=O)c1ccncc1O
InChIInChI=1S/C13H11IN2O2/c1-8-10(14)3-2-4-11(8)16-13(18)9-5-6-15-7-12(9)17/h2-7,17H,1H3,(H,16,18)
InChIKeyVFQQCAAMBPQIIK-UHFFFAOYSA-N
XLogP2.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-methylphenyl)-3-hydroxypyridine-4-carboxamide
CID 114251337
N-(2,3-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443246
2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide
CID 113368797
N-(2-acetylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81446255
3-hydroxy-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
CID 81440113
3-hydroxy-N-naphthalen-1-ylpyridine-4-carboxamide
CID 81443161
N-(2-chlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443413
N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide
CID 113368793
N-[2-(1-aminoethyl)phenyl]-3-hydroxypyridine-4-carboxamide
CID 81445316
3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
CID 66462249
N-(2-amino-4,5-dimethylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81446459
N-(2-chloro-6-methylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81442693

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide (CID 114256881) is 3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide is Cc1c(I)cccc1NC(=O)c1ccncc1O.
What is the InChIKey of 3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide?
The InChIKey is VFQQCAAMBPQIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O2/c1-8-10(14)3-2-4-11(8)16-13(18)9-5-6-15-7-12(9)17/h2-7,17H,1H3,(H,16,18).
What are the key properties of 3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide?
3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide has a molecular weight of 354.15 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114256881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).