[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanone

C14H9ClF3NO2 — CID 1478938

IUPAC[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H9ClF3NO2/c1-21-10-4-2-8(3-5-10)13(20)12-11(15)6-9(7-19-12)14(16,17)18/h2-7H,1H3
InChIKeyZMSFSDSRGJXWRM-UHFFFAOYSA-N
MW315.68 g/mol
LogP3.99
Rot. Bonds3

About [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanone

[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanone (PubChem CID 1478938) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanone
PubChem CID1478938
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H9ClF3NO2/c1-21-10-4-2-8(3-5-10)13(20)12-11(15)6-9(7-19-12)14(16,17)18/h2-7H,1H3
InChIKeyZMSFSDSRGJXWRM-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 [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanone (CID 1478938) is [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanone?
The InChIKey is ZMSFSDSRGJXWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c1-21-10-4-2-8(3-5-10)13(20)12-11(15)6-9(7-19-12)14(16,17)18/h2-7H,1H3.
What are the key properties of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanone?
[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)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 [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 1478938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).