2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine

C12H12FN3 — CID 62476193

IUPAC2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1Nc1ccc(F)cc1
InChIInChI=1S/C12H12FN3/c1-8-6-10(14)7-15-12(8)16-11-4-2-9(13)3-5-11/h2-7H,14H2,1H3,(H,15,16)
InChIKeyITEYSTNWXRSDOH-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.85
Rot. Bonds2

About 2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine

2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine (PubChem CID 62476193) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine
PubChem CID62476193
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1Nc1ccc(F)cc1
InChIInChI=1S/C12H12FN3/c1-8-6-10(14)7-15-12(8)16-11-4-2-9(13)3-5-11/h2-7H,14H2,1H3,(H,15,16)
InChIKeyITEYSTNWXRSDOH-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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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine (CID 62476193) is 2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine is Cc1cc(N)cnc1Nc1ccc(F)cc1.
What is the InChIKey of 2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine?
The InChIKey is ITEYSTNWXRSDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-8-6-10(14)7-15-12(8)16-11-4-2-9(13)3-5-11/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine?
2-N-(4-fluorophenyl)-3-methylpyridine-2,5-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 2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 62476193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).