4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine

C12H14FN3 — CID 67871911

IUPAC4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine
SMILESNC1=CNC=CC1(N)Cc1ccc(F)cc1
InChIInChI=1S/C12H14FN3/c13-10-3-1-9(2-4-10)7-12(15)5-6-16-8-11(12)14/h1-6,8,16H,7,14-15H2
InChIKeySLXDQEKVIUDLMR-UHFFFAOYSA-N
MW219.26 g/mol
LogP0.98
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine

4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine (PubChem CID 67871911) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine
PubChem CID67871911
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine
SMILESNC1=CNC=CC1(N)Cc1ccc(F)cc1
InChIInChI=1S/C12H14FN3/c13-10-3-1-9(2-4-10)7-12(15)5-6-16-8-11(12)14/h1-6,8,16H,7,14-15H2
InChIKeySLXDQEKVIUDLMR-UHFFFAOYSA-N
XLogP0.98
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine
CID 197748
4-(2-Fluorophenyl)-1,2,3,6-tetrahydropyridine
CID 15047262
N-[2-(2-Fluorophenyl)ethyl]prop-2-en-1-amine
CID 57443416
2-Phenyldihydropyridine
CID 12229543
1-(Benzylmethylamino)cyclohexene
CID 14892746
4-Phenyl-1,2-dihydropyridine
CID 18539434
2-Benzyltetrahydropyridine
CID 21523326
(e)-2Methyl-2-styrylpyridine
CID 57824324
Benzal-3-aminopyridin
CID 68129049
Phenyl-1,23,6-tetrahydropyridine
CID 68624541
alpha-Phenylpicoline
CID 70293185
N'-[2-(cyclohexen-1-yl)ethyl]-N-[2-(4-fluorophenyl)ethyl]ethane-1,2-diamine
CID 16076315

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine (CID 67871911) is 4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine is NC1=CNC=CC1(N)Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine?
The InChIKey is SLXDQEKVIUDLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c13-10-3-1-9(2-4-10)7-12(15)5-6-16-8-11(12)14/h1-6,8,16H,7,14-15H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine?
4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine has a molecular weight of 219.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine is sourced from PubChem (CID 67871911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).