[4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone

C13H10F2N2O2 — CID 118802816

IUPAC[4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
SMILESNc1ccc(C(=O)c2ccccn2)c(OC(F)F)c1
InChIInChI=1S/C13H10F2N2O2/c14-13(15)19-11-7-8(16)4-5-9(11)12(18)10-3-1-2-6-17-10/h1-7,13H,16H2
InChIKeySZWLZUZFVSGTGB-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.50
Rot. Bonds4

About [4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone

[4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone (PubChem CID 118802816) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is [4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
PubChem CID118802816
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name[4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
SMILESNc1ccc(C(=O)c2ccccn2)c(OC(F)F)c1
InChIInChI=1S/C13H10F2N2O2/c14-13(15)19-11-7-8(16)4-5-9(11)12(18)10-3-1-2-6-17-10/h1-7,13H,16H2
InChIKeySZWLZUZFVSGTGB-UHFFFAOYSA-N
XLogP2.50
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone
CID 118819250
[4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118814135
[2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone
CID 118836241
[4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134622086
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118825090
[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-amino-5-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118808080
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]pyridine-2-carbohydrazide
CID 9332711
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The IUPAC name of [4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone (CID 118802816) is [4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone is Nc1ccc(C(=O)c2ccccn2)c(OC(F)F)c1.
What is the InChIKey of [4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The InChIKey is SZWLZUZFVSGTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-13(15)19-11-7-8(16)4-5-9(11)12(18)10-3-1-2-6-17-10/h1-7,13H,16H2.
What are the key properties of [4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone?
[4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone has a molecular weight of 264.23 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 118802816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).