6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine

C12H12FN3 — CID 80646846

IUPAC6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine
SMILESCc1ccc(Nc2cccc(N)n2)c(F)c1
InChIInChI=1S/C12H12FN3/c1-8-5-6-10(9(13)7-8)15-12-4-2-3-11(14)16-12/h2-7H,1H3,(H3,14,15,16)
InChIKeyIXWNIEULLLDELX-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.85
Rot. Bonds2

About 6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine

6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine (PubChem CID 80646846) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine
PubChem CID80646846
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine
SMILESCc1ccc(Nc2cccc(N)n2)c(F)c1
InChIInChI=1S/C12H12FN3/c1-8-5-6-10(9(13)7-8)15-12-4-2-3-11(14)16-12/h2-7H,1H3,(H3,14,15,16)
InChIKeyIXWNIEULLLDELX-UHFFFAOYSA-N
XLogP2.85
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-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

6-N-(2,4-difluorophenyl)pyridine-2,6-diamine
CID 80647983
6-N-(4-chloro-2-fluorophenyl)pyridine-2,6-diamine
CID 80653049
2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine
CID 43261717
2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine
CID 43450982
3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 60789566
N-(2-fluoro-4-methylphenyl)-4-methylpyridin-2-amine
CID 91756465
6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
CID 107647058
6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid
CID 62254300
N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567318
3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112647070
1-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)hydrazine
CID 174805007
5-bromo-4-N-(2-fluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755125

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine (CID 80646846) is 6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine is Cc1ccc(Nc2cccc(N)n2)c(F)c1.
What is the InChIKey of 6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine?
The InChIKey is IXWNIEULLLDELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-8-5-6-10(9(13)7-8)15-12-4-2-3-11(14)16-12/h2-7H,1H3,(H3,14,15,16).
What are the key properties of 6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine?
6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine has a molecular weight of 217.25 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 80646846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).