N4-(5-Fluoro-2-methylphenyl)-3,4-pyridinediamine
Basic information
- CAS
1038695-54-3- Standard SMILES
Cc1ccc(F)cc1Nc1ccncc1N- InChIKey
HCLKOUOTFUVRRD-UHFFFAOYSA-N- Molecular formula
- C12H12FN3
- Average molar mass
- 217.24 g/mol
- Monoisotopic mass
- 217.10152556
Names & identifiers
- Preferred name
- N4-(5-Fluoro-2-methylphenyl)-3,4-pyridinediamine
- IUPAC
- 4-N-(5-fluoro-2-methylphenyl)pyridine-3,4-diamine
Names & synonyms
DTXSID2012355231038695-54-3N4-(5-Fluoro-2-methylphenyl)-3,4-pyridinediamineN~4~-(5-Fluoro-2-methylphenyl)pyridine-3,4-diamine
Database identifiers
- CAS
1038695-54-3- PubChem CID
- 29067321
- DTXSID
DTXSID201235523
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
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Compound notes
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