2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide

C14H13BrN2O2 — CID 103945105

IUPAC2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1cccnc1Br
InChIInChI=1S/C14H13BrN2O2/c15-13-11(7-4-8-16-13)14(19)17-12(9-18)10-5-2-1-3-6-10/h1-8,12,18H,9H2,(H,17,19)/t12-/m1/s1
InChIKeyXQCLVNCYWAEXKN-GFCCVEGCSA-N
MW321.17 g/mol
LogP2.31
Rot. Bonds4

About 2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide

2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide (PubChem CID 103945105) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide
PubChem CID103945105
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1cccnc1Br
InChIInChI=1S/C14H13BrN2O2/c15-13-11(7-4-8-16-13)14(19)17-12(9-18)10-5-2-1-3-6-10/h1-8,12,18H,9H2,(H,17,19)/t12-/m1/s1
InChIKeyXQCLVNCYWAEXKN-GFCCVEGCSA-N
XLogP2.31
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 ≤ 52.31
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-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
2-bromo-N-pentan-3-ylpyridine-3-carboxamide
CID 103751829
2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 104920633
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772690
1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide
CID 10044629
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 103945014
3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 58736733
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide (CID 103945105) is 2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide is O=C(N[C@H](CO)c1ccccc1)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide?
The InChIKey is XQCLVNCYWAEXKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-13-11(7-4-8-16-13)14(19)17-12(9-18)10-5-2-1-3-6-10/h1-8,12,18H,9H2,(H,17,19)/t12-/m1/s1.
What are the key properties of 2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide?
2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 103945105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).