3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide

C13H11ClN2O2 — CID 115667770

IUPAC3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1O)c1ccncc1Cl
InChIInChI=1S/C13H11ClN2O2/c14-11-8-15-6-5-10(11)13(18)16-7-9-3-1-2-4-12(9)17/h1-6,8,17H,7H2,(H,16,18)
InChIKeyLMMNPBQBWNDJFW-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.37
Rot. Bonds3

About 3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide

3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 115667770) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID115667770
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1O)c1ccncc1Cl
InChIInChI=1S/C13H11ClN2O2/c14-11-8-15-6-5-10(11)13(18)16-7-9-3-1-2-4-12(9)17/h1-6,8,17H,7H2,(H,16,18)
InChIKeyLMMNPBQBWNDJFW-UHFFFAOYSA-N
XLogP2.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide
CID 91643727
N-[(2-hydroxyphenyl)methyl]-3-methoxypyridine-4-carboxamide
CID 105063699
2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81439005
3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 79079687
4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 114331675
3-chloro-N-(2-hydroxyphenyl)pyridine-4-carboxamide
CID 103715642
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 66483783
N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81234516
N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105067967
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437
3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 66482597

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide (CID 115667770) is 3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide is O=C(NCc1ccccc1O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is LMMNPBQBWNDJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-11-8-15-6-5-10(11)13(18)16-7-9-3-1-2-4-12(9)17/h1-6,8,17H,7H2,(H,16,18).
What are the key properties of 3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide?
3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 115667770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).