N-(6-chloro-3-pyridinyl)-4-fluorobenzamide

C12H8ClFN2O — CID 3780776

IUPACN-(6-chloro-3-pyridinyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(F)cc1
InChIInChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)
InChIKeyURPKVELJRWKNQS-UHFFFAOYSA-N
MW250.66 g/mol
LogP3.13
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-4-fluorobenzamide

N-(6-chloro-3-pyridinyl)-4-fluorobenzamide (PubChem CID 3780776) has the molecular formula C12H8ClFN2O and a molecular weight of 250.66 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-fluorobenzamide
PubChem CID3780776
Molecular FormulaC12H8ClFN2O
Molecular Weight250.66 g/mol
Exact Mass250.03
IUPAC NameN-(6-chloro-3-pyridinyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(F)cc1
InChIInChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)
InChIKeyURPKVELJRWKNQS-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-4-fluorobenzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-fluorobenzamide (CID 3780776) is N-(6-chloro-3-pyridinyl)-4-fluorobenzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-fluorobenzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-fluorobenzamide is O=C(Nc1ccc(Cl)nc1)c1ccc(F)cc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-fluorobenzamide?
The InChIKey is URPKVELJRWKNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17).
What are the key properties of N-(6-chloro-3-pyridinyl)-4-fluorobenzamide?
N-(6-chloro-3-pyridinyl)-4-fluorobenzamide has a molecular weight of 250.66 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-4-fluorobenzamide is sourced from PubChem (CID 3780776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).