6-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile

C13H11FN4O — CID 62252655

IUPAC6-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(NN)n2)cc1F
InChIInChI=1S/C13H11FN4O/c1-19-12-5-3-8(6-10(12)14)11-4-2-9(7-15)13(17-11)18-16/h2-6H,16H2,1H3,(H,17,18)
InChIKeySFOMPWOPMXXBET-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.05
Rot. Bonds3

About 6-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile

6-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile (PubChem CID 62252655) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile
PubChem CID62252655
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(NN)n2)cc1F
InChIInChI=1S/C13H11FN4O/c1-19-12-5-3-8(6-10(12)14)11-4-2-9(7-15)13(17-11)18-16/h2-6H,16H2,1H3,(H,17,18)
InChIKeySFOMPWOPMXXBET-UHFFFAOYSA-N
XLogP2.05
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile (CID 62252655) is 6-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile is COc1ccc(-c2ccc(C#N)c(NN)n2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile?
The InChIKey is SFOMPWOPMXXBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-19-12-5-3-8(6-10(12)14)11-4-2-9(7-15)13(17-11)18-16/h2-6H,16H2,1H3,(H,17,18).
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile?
6-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile has a molecular weight of 258.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile is sourced from PubChem (CID 62252655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).