4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile

C9H12N4O2 — CID 171900776

IUPAC4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
SMILESN#CCC(O)C(O)c1cccc(NN)n1
InChIInChI=1S/C9H12N4O2/c10-5-4-7(14)9(15)6-2-1-3-8(12-6)13-11/h1-3,7,9,14-15H,4,11H2,(H,12,13)
InChIKeyBTOHHLGKTZJXGK-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.32
Rot. Bonds4

About 4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile

4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile (PubChem CID 171900776) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile.

Molecular Properties

Compound Name4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
PubChem CID171900776
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
SMILESN#CCC(O)C(O)c1cccc(NN)n1
InChIInChI=1S/C9H12N4O2/c10-5-4-7(14)9(15)6-2-1-3-8(12-6)13-11/h1-3,7,9,14-15H,4,11H2,(H,12,13)
InChIKeyBTOHHLGKTZJXGK-UHFFFAOYSA-N
XLogP-0.32
TPSA115.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900419
4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol
CID 171893610
3,4-dihydroxy-4-quinolin-2-ylbutanenitrile
CID 171901182
4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900675
6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900634
3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile
CID 171900457
3,4-dihydroxy-4-(2-hydroxyphenyl)butanenitrile
CID 171900402
1-[(6-hydrazinyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107159891
3,4-dihydroxy-4-naphthalen-2-ylbutanenitrile
CID 171901152
4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanenitrile
CID 171901779
(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile
CID 130649323
3,4-dihydroxy-4-phenanthren-9-ylbutanenitrile
CID 171901989

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The IUPAC name of 4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile (CID 171900776) is 4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile.
What is the SMILES notation for 4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The canonical SMILES for 4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile is N#CCC(O)C(O)c1cccc(NN)n1.
What is the InChIKey of 4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The InChIKey is BTOHHLGKTZJXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-5-4-7(14)9(15)6-2-1-3-8(12-6)13-11/h1-3,7,9,14-15H,4,11H2,(H,12,13).
What are the key properties of 4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile?
4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile has a molecular weight of 208.22 g/mol, XLogP of -0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile is sourced from PubChem (CID 171900776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).