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

C13H10ClFN2O2 — CID 114034177

IUPAC2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cc(F)cnc1Cl
InChIInChI=1S/C13H10ClFN2O2/c14-12-11(5-9(15)6-16-12)13(19)17-10-3-1-2-8(4-10)7-18/h1-6,18H,7H2,(H,17,19)
InChIKeyAJHUPDRBNDYIBB-UHFFFAOYSA-N
MW280.69 g/mol
LogP2.62
Rot. Bonds3

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

2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide (PubChem CID 114034177) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
PubChem CID114034177
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cc(F)cnc1Cl
InChIInChI=1S/C13H10ClFN2O2/c14-12-11(5-9(15)6-16-12)13(19)17-10-3-1-2-8(4-10)7-18/h1-6,18H,7H2,(H,17,19)
InChIKeyAJHUPDRBNDYIBB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437
2-chloro-N-(3-ethynylphenyl)-5-fluoropyridine-3-carboxamide
CID 113347095
2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide
CID 103891458
2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide
CID 114034323
N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 114034261
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757101
2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87757105
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide
CID 103605214
2-chloro-N-(4-cyanophenyl)-5-fluoropyridine-3-carboxamide
CID 103893052

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide (CID 114034177) is 2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(CO)c1)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is AJHUPDRBNDYIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c14-12-11(5-9(15)6-16-12)13(19)17-10-3-1-2-8(4-10)7-18/h1-6,18H,7H2,(H,17,19).
What are the key properties of 2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide?
2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-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 2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 114034177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).