(2-chloro-3-pyridinyl)-(4-fluorophenyl)methanone

C12H7ClFNO — CID 3061979

IUPAC(2-chloro-3-pyridinyl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cccnc1Cl
InChIInChI=1S/C12H7ClFNO/c13-12-10(2-1-7-15-12)11(16)8-3-5-9(14)6-4-8/h1-7H
InChIKeyLTSMOZOQWSATMZ-UHFFFAOYSA-N
MW235.65 g/mol
LogP3.11
Rot. Bonds2

About (2-chloro-3-pyridinyl)-(4-fluorophenyl)methanone

(2-chloro-3-pyridinyl)-(4-fluorophenyl)methanone (PubChem CID 3061979) has the molecular formula C12H7ClFNO and a molecular weight of 235.65 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(4-fluorophenyl)methanone
PubChem CID3061979
Molecular FormulaC12H7ClFNO
Molecular Weight235.65 g/mol
Exact Mass235.02
IUPAC Name(2-chloro-3-pyridinyl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cccnc1Cl
InChIInChI=1S/C12H7ClFNO/c13-12-10(2-1-7-15-12)11(16)8-3-5-9(14)6-4-8/h1-7H
InChIKeyLTSMOZOQWSATMZ-UHFFFAOYSA-N
XLogP3.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 53.11
H-Bond Donors ≤ 50
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 (2-chloro-3-pyridinyl)-(4-fluorophenyl)methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-(4-fluorophenyl)methanone (CID 3061979) is (2-chloro-3-pyridinyl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(4-fluorophenyl)methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)-(4-fluorophenyl)methanone?
The InChIKey is LTSMOZOQWSATMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO/c13-12-10(2-1-7-15-12)11(16)8-3-5-9(14)6-4-8/h1-7H.
What are the key properties of (2-chloro-3-pyridinyl)-(4-fluorophenyl)methanone?
(2-chloro-3-pyridinyl)-(4-fluorophenyl)methanone has a molecular weight of 235.65 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 3061979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).