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

C13H8ClF2NO2 — CID 118825090

IUPAC[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cccc(OC(F)F)c1Cl
InChIInChI=1S/C13H8ClF2NO2/c14-11-8(4-3-6-10(11)19-13(15)16)12(18)9-5-1-2-7-17-9/h1-7,13H
InChIKeyYPAAHFWOSLLDOI-UHFFFAOYSA-N
MW283.66 g/mol
LogP3.57
Rot. Bonds4

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

[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone (PubChem CID 118825090) has the molecular formula C13H8ClF2NO2 and a molecular weight of 283.66 g/mol. Its IUPAC name is [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
PubChem CID118825090
Molecular FormulaC13H8ClF2NO2
Molecular Weight283.66 g/mol
Exact Mass283.02
IUPAC Name[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cccc(OC(F)F)c1Cl
InChIInChI=1S/C13H8ClF2NO2/c14-11-8(4-3-6-10(11)19-13(15)16)12(18)9-5-1-2-7-17-9/h1-7,13H
InChIKeyYPAAHFWOSLLDOI-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

[3-chloro-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847905
[2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone
CID 118836198
[3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118825202
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134621435
[4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802816
[2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone
CID 118836241
[2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone
CID 118819250
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
2-chloro-N-[2-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 953108
1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one
CID 66446206
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]pyridine-2-carbohydrazide
CID 9332711
[2-(difluoromethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339376

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The IUPAC name of [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone (CID 118825090) is [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone is O=C(c1ccccn1)c1cccc(OC(F)F)c1Cl.
What is the InChIKey of [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The InChIKey is YPAAHFWOSLLDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO2/c14-11-8(4-3-6-10(11)19-13(15)16)12(18)9-5-1-2-7-17-9/h1-7,13H.
What are the key properties of [2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone?
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-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-2-ylmethanone is sourced from PubChem (CID 118825090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).