2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine

C12H12F3N3O — CID 154265085

IUPAC2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine
SMILESNC1=CC(N)(c2ccc(OC(F)F)c(F)c2)NC=C1
InChIInChI=1S/C12H12F3N3O/c13-9-5-7(1-2-10(9)19-11(14)15)12(17)6-8(16)3-4-18-12/h1-6,11,18H,16-17H2
InChIKeyIFYNCBIAQGYEMS-UHFFFAOYSA-N
MW271.24 g/mol
LogP1.50
Rot. Bonds3

About 2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine

2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine (PubChem CID 154265085) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine
PubChem CID154265085
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine
SMILESNC1=CC(N)(c2ccc(OC(F)F)c(F)c2)NC=C1
InChIInChI=1S/C12H12F3N3O/c13-9-5-7(1-2-10(9)19-11(14)15)12(17)6-8(16)3-4-18-12/h1-6,11,18H,16-17H2
InChIKeyIFYNCBIAQGYEMS-UHFFFAOYSA-N
XLogP1.50
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine 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

2-(3-fluoro-4-methoxyphenyl)-4-phenyl-1H-pyridin-2-amine
CID 68983378
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
[5-(difluoromethoxy)-2,4-difluorophenyl] carbamate
CID 175535923
4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
3-[3-(5-chloro-3-pyridinyl)phenyl]-3-[4-(difluoromethoxy)-3-fluorophenyl]-1,2-dihydropyrrol-5-amine
CID 141243141
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
CID 170836985
1-(difluoromethoxy)-4-ethynyl-2-fluorobenzene
CID 19690533
4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666402
2-bromo-4-(difluoromethoxy)-5-fluoroaniline
CID 131289039
1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene
CID 75406590
1-(difluoromethoxy)-4-[1-ethyl-4-(3-fluorophenyl)cyclohexa-2,4-dien-1-yl]-2-fluorobenzene
CID 67939624
4-(4-but-3-enylphenyl)-1-(difluoromethoxy)-2-fluorobenzene
CID 139764168

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine?
The IUPAC name of 2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine (CID 154265085) is 2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine?
The canonical SMILES for 2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine is NC1=CC(N)(c2ccc(OC(F)F)c(F)c2)NC=C1.
What is the InChIKey of 2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine?
The InChIKey is IFYNCBIAQGYEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-9-5-7(1-2-10(9)19-11(14)15)12(17)6-8(16)3-4-18-12/h1-6,11,18H,16-17H2.
What are the key properties of 2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine?
2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine has a molecular weight of 271.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyridine-2,4-diamine is sourced from PubChem (CID 154265085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).