2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide

C14H12ClFN2O2 — CID 103893263

IUPAC2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1O)C(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C14H12ClFN2O2/c1-18(8-9-4-2-3-5-12(9)19)14(20)11-6-10(16)7-17-13(11)15/h2-7,19H,8H2,1H3
InChIKeyMWRGCMAYWRUKTC-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.85
Rot. Bonds3

About 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide

2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 103893263) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID103893263
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1O)C(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C14H12ClFN2O2/c1-18(8-9-4-2-3-5-12(9)19)14(20)11-6-10(16)7-17-13(11)15/h2-7,19H,8H2,1H3
InChIKeyMWRGCMAYWRUKTC-UHFFFAOYSA-N
XLogP2.85
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyridine-3-carboxamide
CID 114034200
2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 103891558
5-bromo-2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62000635
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide
CID 114034158
N-[(2-chlorophenyl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79532591
2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 103892317
5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628265
5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47268472
4-chloro-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 60628192
2-chloro-5-fluoro-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 103893092
4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103829572
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628317

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide (CID 103893263) is 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide is CN(Cc1ccccc1O)C(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is MWRGCMAYWRUKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-18(8-9-4-2-3-5-12(9)19)14(20)11-6-10(16)7-17-13(11)15/h2-7,19H,8H2,1H3.
What are the key properties of 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 294.71 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 103893263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).