2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide

C13H11ClN2O2 — CID 51891437

IUPAC2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cccnc1Cl
InChIInChI=1S/C13H11ClN2O2/c14-12-11(5-2-6-15-12)13(18)16-10-4-1-3-9(7-10)8-17/h1-7,17H,8H2,(H,16,18)
InChIKeyAWNKQSXJMUCJLD-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.48
Rot. Bonds3

About 2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide

2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide (PubChem CID 51891437) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
PubChem CID51891437
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cccnc1Cl
InChIInChI=1S/C13H11ClN2O2/c14-12-11(5-2-6-15-12)13(18)16-10-4-1-3-9(7-10)8-17/h1-7,17H,8H2,(H,16,18)
InChIKeyAWNKQSXJMUCJLD-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 75435675
2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 114034177
5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 110910882
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348
2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
CID 61041501
2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide
CID 103605214
2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide
CID 110877152
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60715835
2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 61040465
2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 112809803
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide (CID 51891437) is 2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(CO)c1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is AWNKQSXJMUCJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-12-11(5-2-6-15-12)13(18)16-10-4-1-3-9(7-10)8-17/h1-7,17H,8H2,(H,16,18).
What are the key properties of 2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide?
2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 51891437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).