N-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide

C12H7ClF2N2O — CID 171502142

IUPACN-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(F)c1ccc(F)cc1Cl
InChIInChI=1S/C12H7ClF2N2O/c13-10-6-9(14)3-4-11(10)17(15)12(18)8-2-1-5-16-7-8/h1-7H
InChIKeyLDCBBYUNQROXDT-UHFFFAOYSA-N
MW268.65 g/mol
LogP3.41
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide

N-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide (PubChem CID 171502142) has the molecular formula C12H7ClF2N2O and a molecular weight of 268.65 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide
PubChem CID171502142
Molecular FormulaC12H7ClF2N2O
Molecular Weight268.65 g/mol
Exact Mass268.02
IUPAC NameN-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(F)c1ccc(F)cc1Cl
InChIInChI=1S/C12H7ClF2N2O/c13-10-6-9(14)3-4-11(10)17(15)12(18)8-2-1-5-16-7-8/h1-7H
InChIKeyLDCBBYUNQROXDT-UHFFFAOYSA-N
XLogP3.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.65
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
CID 112694365
(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
2-(3-fluorophenyl)-1-pyridin-3-ylethanone
CID 60797988
N-amino-N-hydroxypyridine-3-carboxamide
CID 54392890
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 91767645
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
(2,6-dichlorophenyl)-pyridin-3-ylmethanone
CID 14249700
5-fluoro-2-pyridin-3-ylbenzoyl chloride
CID 46315579

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide (CID 171502142) is N-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide is O=C(c1cccnc1)N(F)c1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide?
The InChIKey is LDCBBYUNQROXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O/c13-10-6-9(14)3-4-11(10)17(15)12(18)8-2-1-5-16-7-8/h1-7H.
What are the key properties of N-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide?
N-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide has a molecular weight of 268.65 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide is sourced from PubChem (CID 171502142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).