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

C13H10ClFN2O2 — CID 90238140

IUPAC5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(CO)c1)c1ccc(Cl)cn1
InChIInChI=1S/C13H10ClFN2O2/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)
InChIKeyBZKUPLYHZIUUDL-UHFFFAOYSA-N
MW280.69 g/mol
LogP2.62
Rot. Bonds3

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

5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide (PubChem CID 90238140) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
PubChem CID90238140
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(CO)c1)c1ccc(Cl)cn1
InChIInChI=1S/C13H10ClFN2O2/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)
InChIKeyBZKUPLYHZIUUDL-UHFFFAOYSA-N
XLogP2.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238784
5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide
CID 90443635
N-(4-fluoro-3-propylphenyl)-5-methoxypyridine-2-carboxamide
CID 126634300
N-(3-chloro-4-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189536
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977
5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide
CID 113238388
N-(3,4-dichlorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189570
5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide
CID 167928774
N-(4-fluoro-3-methylphenyl)-5-methylpyridine-2-carboxamide
CID 90289728
N-[3-(aminomethyl)-4-fluorophenyl]pyridine-2-carboxamide
CID 62317302
N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide
CID 45086782
5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide
CID 107231717

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide (CID 90238140) is 5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(F)c(CO)c1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is BZKUPLYHZIUUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/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-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide?
5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 280.69 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 90238140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).