3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile

C12H10ClN5 — CID 107810668

IUPAC3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2ccnc(NN)c2)c(Cl)c1
InChIInChI=1S/C12H10ClN5/c13-10-5-8(7-14)1-2-11(10)17-9-3-4-16-12(6-9)18-15/h1-6H,15H2,(H2,16,17,18)
InChIKeyQZEHZFPDXMSMMZ-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.64
Rot. Bonds3

About 3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile

3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile (PubChem CID 107810668) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is 3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile.

Molecular Properties

Compound Name3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile
PubChem CID107810668
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC Name3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2ccnc(NN)c2)c(Cl)c1
InChIInChI=1S/C12H10ClN5/c13-10-5-8(7-14)1-2-11(10)17-9-3-4-16-12(6-9)18-15/h1-6H,15H2,(H2,16,17,18)
InChIKeyQZEHZFPDXMSMMZ-UHFFFAOYSA-N
XLogP2.64
TPSA86.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.64
H-Bond Donors ≤ 53
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

4-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 107808817
3-chloro-4-[(2-chloropyrimidin-4-yl)amino]benzonitrile
CID 107809620
3-chloro-4-(3,5-dichloroanilino)benzonitrile
CID 63509890
3-chloro-4-(3-chloroanilino)benzonitrile
CID 63510074
3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
CID 55196697
4-chloro-3-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80926363
4-[(4-amino-5-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807041
5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 114003530
3-chloro-4-(3-methoxyanilino)benzonitrile
CID 55179677
4-(3-amino-5-ethoxyanilino)-3-chlorobenzonitrile
CID 107806999
3-chloro-4-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107809621
2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile
CID 107620396

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile?
The IUPAC name of 3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile (CID 107810668) is 3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile.
What is the SMILES notation for 3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile?
The canonical SMILES for 3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile is N#Cc1ccc(Nc2ccnc(NN)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile?
The InChIKey is QZEHZFPDXMSMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5/c13-10-5-8(7-14)1-2-11(10)17-9-3-4-16-12(6-9)18-15/h1-6H,15H2,(H2,16,17,18).
What are the key properties of 3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile?
3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile has a molecular weight of 259.70 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile is sourced from PubChem (CID 107810668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).