N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide

C11H7ClFN3O — CID 115645692

IUPACN-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccncc1F
InChIInChI=1S/C11H7ClFN3O/c12-10-2-1-7(5-15-10)16-11(17)8-3-4-14-6-9(8)13/h1-6H,(H,16,17)
InChIKeyDQAQQZHMUJSBOD-UHFFFAOYSA-N
MW251.65 g/mol
LogP2.52
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide

N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide (PubChem CID 115645692) has the molecular formula C11H7ClFN3O and a molecular weight of 251.65 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
PubChem CID115645692
Molecular FormulaC11H7ClFN3O
Molecular Weight251.65 g/mol
Exact Mass251.03
IUPAC NameN-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccncc1F
InChIInChI=1S/C11H7ClFN3O/c12-10-2-1-7(5-15-10)16-11(17)8-3-4-14-6-9(8)13/h1-6H,(H,16,17)
InChIKeyDQAQQZHMUJSBOD-UHFFFAOYSA-N
XLogP2.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.65
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide
CID 115645650
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 103745275
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
CID 82885551
3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide
CID 122301656
5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 78929857
N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 99842680
N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide
CID 64951270
N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64951437
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-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide (CID 115645692) is N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide is O=C(Nc1ccc(Cl)nc1)c1ccncc1F.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is DQAQQZHMUJSBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O/c12-10-2-1-7(5-15-10)16-11(17)8-3-4-14-6-9(8)13/h1-6H,(H,16,17).
What are the key properties of N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide?
N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 251.65 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115645692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).