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

C13H11ClN2O2 — CID 60655184

IUPAC6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1CO)c1ccc(Cl)nc1
InChIInChI=1S/C13H11ClN2O2/c14-12-6-5-9(7-15-12)13(18)16-11-4-2-1-3-10(11)8-17/h1-7,17H,8H2,(H,16,18)
InChIKeyUFPGFMKJCPNIDA-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.48
Rot. Bonds3

About 6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide

6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide (PubChem CID 60655184) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
PubChem CID60655184
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1CO)c1ccc(Cl)nc1
InChIInChI=1S/C13H11ClN2O2/c14-12-6-5-9(7-15-12)13(18)16-11-4-2-1-3-10(11)8-17/h1-7,17H,8H2,(H,16,18)
InChIKeyUFPGFMKJCPNIDA-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

6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 110902455
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate
CID 18273877
S-[2-[(6-chloropyridine-3-carbonyl)amino]phenyl] 2-methylpropanethioate
CID 145088928
6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 41369460
6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 36661694
4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide
CID 60653502
5-hydroxy-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 55258131
6-chloro-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26243696
6-chloro-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 43384926
3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61498076
N-(2-ethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167285

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide (CID 60655184) is 6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1CO)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is UFPGFMKJCPNIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-12-6-5-9(7-15-12)13(18)16-11-4-2-1-3-10(11)8-17/h1-7,17H,8H2,(H,16,18).
What are the key properties of 6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide?
6-chloro-N-[2-(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 6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 60655184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).