5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine

C13H12F2N2O — CID 83308187

IUPAC5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ccc(F)cn2)cc1F
InChIInChI=1S/C13H12F2N2O/c1-18-12-4-2-9(6-11(12)15)7-16-13-5-3-10(14)8-17-13/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyZOKXWWOKKIDGBW-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.98
Rot. Bonds4

About 5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine

5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 83308187) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID83308187
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ccc(F)cn2)cc1F
InChIInChI=1S/C13H12F2N2O/c1-18-12-4-2-9(6-11(12)15)7-16-13-5-3-10(14)8-17-13/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyZOKXWWOKKIDGBW-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine 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

1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone
CID 167923965
5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine
CID 75498230
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 61313135
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 113290173
2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine
CID 115147662
N-[(4-chlorophenyl)methyl]-5-fluoropyridin-2-amine
CID 61313125
2-tert-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 133351061
5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 61313338
2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379922
5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 62995202
5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
CID 115146650

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine (CID 83308187) is 5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine is COc1ccc(CNc2ccc(F)cn2)cc1F.
What is the InChIKey of 5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is ZOKXWWOKKIDGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-18-12-4-2-9(6-11(12)15)7-16-13-5-3-10(14)8-17-13/h2-6,8H,7H2,1H3,(H,16,17).
What are the key properties of 5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine?
5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 250.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 83308187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).