(5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone

C14H9ClF3NO2 — CID 67398819

IUPAC(5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1nc(C(=O)c2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C14H9ClF3NO2/c1-21-13-10(15)6-7-11(19-13)12(20)8-2-4-9(5-3-8)14(16,17)18/h2-7H,1H3
InChIKeyHCEQGRIMTTUCQY-UHFFFAOYSA-N
MW315.68 g/mol
LogP3.99
Rot. Bonds3

About (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone

(5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 67398819) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID67398819
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name(5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1nc(C(=O)c2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C14H9ClF3NO2/c1-21-13-10(15)6-7-11(19-13)12(20)8-2-4-9(5-3-8)14(16,17)18/h2-7H,1H3
InChIKeyHCEQGRIMTTUCQY-UHFFFAOYSA-N
XLogP3.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone (CID 67398819) is (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone is COc1nc(C(=O)c2ccc(C(F)(F)F)cc2)ccc1Cl.
What is the InChIKey of (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is HCEQGRIMTTUCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c1-21-13-10(15)6-7-11(19-13)12(20)8-2-4-9(5-3-8)14(16,17)18/h2-7H,1H3.
What are the key properties of (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone?
(5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 315.68 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 67398819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).