N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide

C12H7Cl2FN2O — CID 115645307

IUPACN-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccncc1F
InChIInChI=1S/C12H7Cl2FN2O/c13-7-3-8(14)5-9(4-7)17-12(18)10-1-2-16-6-11(10)15/h1-6H,(H,17,18)
InChIKeyVFCQPBKMSXEQRJ-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.78
Rot. Bonds2

About N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide

N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 115645307) has the molecular formula C12H7Cl2FN2O and a molecular weight of 285.11 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
PubChem CID115645307
Molecular FormulaC12H7Cl2FN2O
Molecular Weight285.11 g/mol
Exact Mass283.99
IUPAC NameN-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccncc1F
InChIInChI=1S/C12H7Cl2FN2O/c13-7-3-8(14)5-9(4-7)17-12(18)10-1-2-16-6-11(10)15/h1-6H,(H,17,18)
InChIKeyVFCQPBKMSXEQRJ-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
CID 82885551
N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 115645692
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 103745275
N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 81024129
N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 99842680
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405
3-fluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103738947
N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 64950063
N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide
CID 64951270
N-(5-acetyl-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 71917356
N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide
CID 122142167
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide (CID 115645307) is N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1ccncc1F.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is VFCQPBKMSXEQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O/c13-7-3-8(14)5-9(4-7)17-12(18)10-1-2-16-6-11(10)15/h1-6H,(H,17,18).
What are the key properties of N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide?
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 285.11 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115645307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).