[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone

C13H8ClF2NO2 — CID 134621435

IUPAC[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cccc(OC(F)F)c1Cl
InChIInChI=1S/C13H8ClF2NO2/c14-11-9(4-1-5-10(11)19-13(15)16)12(18)8-3-2-6-17-7-8/h1-7,13H
InChIKeyIPWUPOWMTUNKGW-UHFFFAOYSA-N
MW283.66 g/mol
LogP3.57
Rot. Bonds4

About [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone

[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone (PubChem CID 134621435) has the molecular formula C13H8ClF2NO2 and a molecular weight of 283.66 g/mol. Its IUPAC name is [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
PubChem CID134621435
Molecular FormulaC13H8ClF2NO2
Molecular Weight283.66 g/mol
Exact Mass283.02
IUPAC Name[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cccc(OC(F)F)c1Cl
InChIInChI=1S/C13H8ClF2NO2/c14-11-9(4-1-5-10(11)19-13(15)16)12(18)8-3-2-6-17-7-8/h1-7,13H
InChIKeyIPWUPOWMTUNKGW-UHFFFAOYSA-N
XLogP3.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.66
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(difluoromethoxy)-6-hydroxyphenyl]-pyridin-3-ylmethanone
CID 134621157
[4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134622086
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118825090
[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 114963185
[2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone
CID 134621166
(2,6-dichlorophenyl)-pyridin-3-ylmethanone
CID 14249700
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
CID 112694365
[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622134
N-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide
CID 141089286
[3-(difluoromethyl)-2-nitrophenyl]-pyridin-3-ylmethanone
CID 134621605
2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one
CID 86157460

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone (CID 134621435) is [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone is O=C(c1cccnc1)c1cccc(OC(F)F)c1Cl.
What is the InChIKey of [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone?
The InChIKey is IPWUPOWMTUNKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO2/c14-11-9(4-1-5-10(11)19-13(15)16)12(18)8-3-2-6-17-7-8/h1-7,13H.
What are the key properties of [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone?
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone has a molecular weight of 283.66 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 134621435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).