[4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone

C13H10F2N2O2 — CID 134627616

IUPAC[4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone
SMILESNc1ccc(C(=O)c2ccncc2)cc1OC(F)F
InChIInChI=1S/C13H10F2N2O2/c14-13(15)19-11-7-9(1-2-10(11)16)12(18)8-3-5-17-6-4-8/h1-7,13H,16H2
InChIKeyDGCNHQZFDMQQJM-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.50
Rot. Bonds4

About [4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone

[4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone (PubChem CID 134627616) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is [4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone
PubChem CID134627616
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name[4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone
SMILESNc1ccc(C(=O)c2ccncc2)cc1OC(F)F
InChIInChI=1S/C13H10F2N2O2/c14-13(15)19-11-7-9(1-2-10(11)16)12(18)8-3-5-17-6-4-8/h1-7,13H,16H2
InChIKeyDGCNHQZFDMQQJM-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'}

Analyze [4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(difluoromethoxy)-4-nitrophenyl]-pyridin-4-ylmethanone
CID 134627459
[2-amino-5-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627389
methyl 4-amino-3-(difluoromethoxy)benzoate
CID 43380209
[3-amino-4-(pyridine-4-carbonyl)phenyl]-pyridin-4-ylmethanone
CID 176900459
[3-amino-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone
CID 134627485
[5-(difluoromethoxy)-2-nitrophenyl]-pyridin-4-ylmethanone
CID 134627642
[2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone
CID 134627387
4-chloro-2-(difluoromethoxy)aniline
CID 19439738
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
1-[4-amino-3-(difluoromethoxy)phenyl]-1-bromopropan-2-one
CID 118815484
(4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone
CID 62789749
[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 114963185

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone?
The IUPAC name of [4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone (CID 134627616) is [4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone is Nc1ccc(C(=O)c2ccncc2)cc1OC(F)F.
What is the InChIKey of [4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone?
The InChIKey is DGCNHQZFDMQQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-13(15)19-11-7-9(1-2-10(11)16)12(18)8-3-5-17-6-4-8/h1-7,13H,16H2.
What are the key properties of [4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone?
[4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-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-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone is sourced from PubChem (CID 134627616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).