5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide

C13H10BrFN2O2 — CID 90238784

IUPAC5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(CO)c1)c1ccc(Br)cn1
InChIInChI=1S/C13H10BrFN2O2/c14-9-1-4-12(16-6-9)13(19)17-10-2-3-11(15)8(5-10)7-18/h1-6,18H,7H2,(H,17,19)
InChIKeyAWNVWIGSROTKQG-UHFFFAOYSA-N
MW325.14 g/mol
LogP2.73
Rot. Bonds3

About 5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide

5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide (PubChem CID 90238784) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
PubChem CID90238784
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(CO)c1)c1ccc(Br)cn1
InChIInChI=1S/C13H10BrFN2O2/c14-9-1-4-12(16-6-9)13(19)17-10-2-3-11(15)8(5-10)7-18/h1-6,18H,7H2,(H,17,19)
InChIKeyAWNVWIGSROTKQG-UHFFFAOYSA-N
XLogP2.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238140
5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide
CID 55152694
5-bromo-N-(3-chloro-5-fluorophenyl)pyridine-2-carboxamide
CID 113259351
N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide
CID 75513025
5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide
CID 62952498
2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 115295703
N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide
CID 62958589
5-bromo-N-(3-bromo-4-methoxyphenyl)pyridine-2-carboxamide
CID 63999815
N-(4-fluoro-3-propylphenyl)-5-methoxypyridine-2-carboxamide
CID 126634300
5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 55153069
4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 62960045
5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide
CID 62954926

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide (CID 90238784) is 5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(F)c(CO)c1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is AWNVWIGSROTKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c14-9-1-4-12(16-6-9)13(19)17-10-2-3-11(15)8(5-10)7-18/h1-6,18H,7H2,(H,17,19).
What are the key properties of 5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide?
5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 325.14 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 90238784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).