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

C14H9ClF3NO — CID 102752678

IUPAC(2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C14H9ClF3NO/c1-8-6-10(14(16,17)18)2-3-11(8)13(20)9-4-5-19-12(15)7-9/h2-7H,1H3
InChIKeyHNKALOCBIBOQBN-UHFFFAOYSA-N
MW299.68 g/mol
LogP4.29
Rot. Bonds2

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

(2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (PubChem CID 102752678) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
PubChem CID102752678
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC Name(2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C14H9ClF3NO/c1-8-6-10(14(16,17)18)2-3-11(8)13(20)9-4-5-19-12(15)7-9/h2-7H,1H3
InChIKeyHNKALOCBIBOQBN-UHFFFAOYSA-N
XLogP4.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 54.29
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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Related Compounds

(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757027
(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107996851
(2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288234
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889
[2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone
CID 102752335
(4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756821
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913
(2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757184
2-chloropyridine-4-carboxylic acid;4-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylaniline
CID 87885396
2-chloro-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyridine
CID 157088405
[5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone
CID 90305435
(2-chloro-6-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757029

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (CID 102752678) is (2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is Cc1cc(C(F)(F)F)ccc1C(=O)c1ccnc(Cl)c1.
What is the InChIKey of (2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is HNKALOCBIBOQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c1-8-6-10(14(16,17)18)2-3-11(8)13(20)9-4-5-19-12(15)7-9/h2-7H,1H3.
What are the key properties of (2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
(2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 299.68 g/mol, XLogP of 4.29, 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)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 102752678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).