3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine

C13H12F2N2 — CID 171702410

IUPAC3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(F)cc1)c1ncccc1F
InChIInChI=1S/C13H12F2N2/c1-17(13-12(15)3-2-8-16-13)9-10-4-6-11(14)7-5-10/h2-8H,9H2,1H3
InChIKeyHZXLSUXWGDBGOW-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.00
Rot. Bonds3

About 3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine

3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine (PubChem CID 171702410) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
PubChem CID171702410
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(F)cc1)c1ncccc1F
InChIInChI=1S/C13H12F2N2/c1-17(13-12(15)3-2-8-16-13)9-10-4-6-11(14)7-5-10/h2-8H,9H2,1H3
InChIKeyHZXLSUXWGDBGOW-UHFFFAOYSA-N
XLogP3.00
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine (CID 171702410) is 3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine is CN(Cc1ccc(F)cc1)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine?
The InChIKey is HZXLSUXWGDBGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c1-17(13-12(15)3-2-8-16-13)9-10-4-6-11(14)7-5-10/h2-8H,9H2,1H3.
What are the key properties of 3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine?
3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine has a molecular weight of 234.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 171702410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).