4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine

C12H14FN5 — CID 130451115

IUPAC4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(Cc2cccc(F)c2)c1N
InChIInChI=1S/C12H14FN5/c13-9-3-1-2-7(5-9)4-8-6-10(14)17-12(18-16)11(8)15/h1-3,5-6H,4,15-16H2,(H3,14,17,18)
InChIKeyKFNCIIIBHSFNGA-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.26
Rot. Bonds3

About 4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine

4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 130451115) has the molecular formula C12H14FN5 and a molecular weight of 247.28 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
PubChem CID130451115
Molecular FormulaC12H14FN5
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC Name4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(Cc2cccc(F)c2)c1N
InChIInChI=1S/C12H14FN5/c13-9-3-1-2-7(5-9)4-8-6-10(14)17-12(18-16)11(8)15/h1-3,5-6H,4,15-16H2,(H3,14,17,18)
InChIKeyKFNCIIIBHSFNGA-UHFFFAOYSA-N
XLogP1.26
TPSA102.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-fluorophenyl)methyl]aniline
CID 105453525
4-[[5-(3-fluorophenyl)-2-methylphenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678926
4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine
CID 140918296
5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine
CID 112716202
6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 62192622
[2-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 62251604
4-[(3-fluorophenyl)methyl]isoquinoline
CID 15082834
2-[(3-fluorophenyl)methyl]-5-methylaniline
CID 105468725
4-[(4-chlorobenzotriazol-2-yl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 126676487
5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline
CID 157020701
1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene
CID 141193012
3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 102755761

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine (CID 130451115) is 4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine is NNc1nc(N)cc(Cc2cccc(F)c2)c1N.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is KFNCIIIBHSFNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5/c13-9-3-1-2-7(5-9)4-8-6-10(14)17-12(18-16)11(8)15/h1-3,5-6H,4,15-16H2,(H3,14,17,18).
What are the key properties of 4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine?
4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 247.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 130451115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).