(2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

C13H6ClF4NO — CID 107288234

IUPAC(2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccnc(Cl)c1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H6ClF4NO/c14-11-6-8(3-4-19-11)12(20)7-1-2-9(10(15)5-7)13(16,17)18/h1-6H
InChIKeyGHTWSVWVIKFJTA-UHFFFAOYSA-N
MW303.64 g/mol
LogP4.12
Rot. Bonds2

About (2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

(2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (PubChem CID 107288234) has the molecular formula C13H6ClF4NO and a molecular weight of 303.64 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
PubChem CID107288234
Molecular FormulaC13H6ClF4NO
Molecular Weight303.64 g/mol
Exact Mass303.01
IUPAC Name(2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccnc(Cl)c1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H6ClF4NO/c14-11-6-8(3-4-19-11)12(20)7-1-2-9(10(15)5-7)13(16,17)18/h1-6H
InChIKeyGHTWSVWVIKFJTA-UHFFFAOYSA-N
XLogP4.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.64
LogP ≤ 54.12
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-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (CID 107288234) is (2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is O=C(c1ccnc(Cl)c1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of (2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is GHTWSVWVIKFJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF4NO/c14-11-6-8(3-4-19-11)12(20)7-1-2-9(10(15)5-7)13(16,17)18/h1-6H.
What are the key properties of (2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
(2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 303.64 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 107288234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).