3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine

C12H12FN3 — CID 104539866

IUPAC3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine
SMILESCc1ccc(F)c(Nc2cccnc2N)c1
InChIInChI=1S/C12H12FN3/c1-8-4-5-9(13)11(7-8)16-10-3-2-6-15-12(10)14/h2-7,16H,1H3,(H2,14,15)
InChIKeyCOVNDTLJJQIHTA-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.85
Rot. Bonds2

About 3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine

3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine (PubChem CID 104539866) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine
PubChem CID104539866
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine
SMILESCc1ccc(F)c(Nc2cccnc2N)c1
InChIInChI=1S/C12H12FN3/c1-8-4-5-9(13)11(7-8)16-10-3-2-6-15-12(10)14/h2-7,16H,1H3,(H2,14,15)
InChIKeyCOVNDTLJJQIHTA-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

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Related Compounds

8-N-(2-fluoro-5-methylphenyl)quinoline-5,8-diamine
CID 43450217
3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine
CID 102852542
3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 113424874
3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine
CID 107591065
3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine
CID 114073968
4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine
CID 80755229
4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103589902
3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine
CID 107634583
N-(2-fluoro-5-methylphenyl)-1H-imidazol-2-amine
CID 106561042
2-fluoro-N-(4-fluorophenyl)-5-methylaniline
CID 56637557
1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine
CID 43168899
4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80755372

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine (CID 104539866) is 3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine is Cc1ccc(F)c(Nc2cccnc2N)c1.
What is the InChIKey of 3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine?
The InChIKey is COVNDTLJJQIHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-8-4-5-9(13)11(7-8)16-10-3-2-6-15-12(10)14/h2-7,16H,1H3,(H2,14,15).
What are the key properties of 3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine?
3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-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 3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 104539866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).