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

C14H13BrN2O2 — CID 103756187

IUPAC2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1cccnc1Br
InChIInChI=1S/C14H13BrN2O2/c15-13-12(5-2-6-16-13)14(19)17-8-10-3-1-4-11(7-10)9-18/h1-7,18H,8-9H2,(H,17,19)
InChIKeyQCACCGKFXKUXEK-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.27
Rot. Bonds4

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

2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 103756187) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID103756187
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1cccnc1Br
InChIInChI=1S/C14H13BrN2O2/c15-13-12(5-2-6-16-13)14(19)17-8-10-3-1-4-11(7-10)9-18/h1-7,18H,8-9H2,(H,17,19)
InChIKeyQCACCGKFXKUXEK-UHFFFAOYSA-N
XLogP2.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.27
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

2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311262
N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide
CID 131903322
2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 100695919
2-bromo-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 103754998
2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 103819583
2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 103752820
4,5-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55205613
3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 66483783
2-bromo-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 113255164
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107210212
2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 103752450

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide (CID 103756187) is 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1cccc(CO)c1)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is QCACCGKFXKUXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-13-12(5-2-6-16-13)14(19)17-8-10-3-1-4-11(7-10)9-18/h1-7,18H,8-9H2,(H,17,19).
What are the key properties of 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide?
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 103756187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).