N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide

C13H10ClFN2O2 — CID 99842680

IUPACN-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccncc2F)ccc1Cl
InChIInChI=1S/C13H10ClFN2O2/c1-19-12-6-8(2-3-10(12)14)17-13(18)9-4-5-16-7-11(9)15/h2-7H,1H3,(H,17,18)
InChIKeyJHTZKRUXWPDICA-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.13
Rot. Bonds3

About N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide

N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 99842680) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
PubChem CID99842680
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC NameN-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccncc2F)ccc1Cl
InChIInChI=1S/C13H10ClFN2O2/c1-19-12-6-8(2-3-10(12)14)17-13(18)9-4-5-16-7-11(9)15/h2-7H,1H3,(H,17,18)
InChIKeyJHTZKRUXWPDICA-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 114840031
N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide
CID 122142167
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
CID 82885551
3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide
CID 131905829
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide
CID 122301656
N-(3-fluoro-4-hydroxyphenyl)-3-methoxypyridine-4-carboxamide
CID 105063689
N-(4-chloro-3-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 107271805
5-chloro-N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide
CID 107623034
2,5-dichloro-N-(3-fluoro-4-methoxyphenyl)-4-methoxybenzamide
CID 167851526
N-(2,5-dimethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 115645348
N-(4-fluoro-3-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 114840716

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide (CID 99842680) is N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide is COc1cc(NC(=O)c2ccncc2F)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is JHTZKRUXWPDICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c1-19-12-6-8(2-3-10(12)14)17-13(18)9-4-5-16-7-11(9)15/h2-7H,1H3,(H,17,18).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 280.69 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 99842680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).