[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethanone

C13H7ClF3NO — CID 1483143

IUPAC[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H7ClF3NO/c14-10-6-9(13(15,16)17)7-18-11(10)12(19)8-4-2-1-3-5-8/h1-7H
InChIKeyBMGWEDZKCXRPNQ-UHFFFAOYSA-N
MW285.65 g/mol
LogP3.98
Rot. Bonds2

About [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethanone

[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethanone (PubChem CID 1483143) has the molecular formula C13H7ClF3NO and a molecular weight of 285.65 g/mol. Its IUPAC name is [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethanone.

Molecular Properties

Compound Name[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethanone
PubChem CID1483143
Molecular FormulaC13H7ClF3NO
Molecular Weight285.65 g/mol
Exact Mass285.02
IUPAC Name[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H7ClF3NO/c14-10-6-9(13(15,16)17)7-18-11(10)12(19)8-4-2-1-3-5-8/h1-7H
InChIKeyBMGWEDZKCXRPNQ-UHFFFAOYSA-N
XLogP3.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethanone?
The IUPAC name of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethanone (CID 1483143) is [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethanone.
What is the SMILES notation for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethanone?
The canonical SMILES for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethanone is O=C(c1ccccc1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethanone?
The InChIKey is BMGWEDZKCXRPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO/c14-10-6-9(13(15,16)17)7-18-11(10)12(19)8-4-2-1-3-5-8/h1-7H.
What are the key properties of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethanone?
[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethanone has a molecular weight of 285.65 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethanone is sourced from PubChem (CID 1483143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).