2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile

C13H11Cl2N5 — CID 107802103

IUPAC2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile
SMILESCc1cccc(Nc2nc(NN)c(Cl)cc2Cl)c1C#N
InChIInChI=1S/C13H11Cl2N5/c1-7-3-2-4-11(8(7)6-16)18-12-9(14)5-10(15)13(19-12)20-17/h2-5H,17H2,1H3,(H2,18,19,20)
InChIKeySRFXWXCESGIZLG-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.60
Rot. Bonds3

About 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile

2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile (PubChem CID 107802103) has the molecular formula C13H11Cl2N5 and a molecular weight of 308.17 g/mol. Its IUPAC name is 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile
PubChem CID107802103
Molecular FormulaC13H11Cl2N5
Molecular Weight308.17 g/mol
Exact Mass307.04
IUPAC Name2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile
SMILESCc1cccc(Nc2nc(NN)c(Cl)cc2Cl)c1C#N
InChIInChI=1S/C13H11Cl2N5/c1-7-3-2-4-11(8(7)6-16)18-12-9(14)5-10(15)13(19-12)20-17/h2-5H,17H2,1H3,(H2,18,19,20)
InChIKeySRFXWXCESGIZLG-UHFFFAOYSA-N
XLogP3.60
TPSA86.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.60
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

3,5-dichloro-N-(2-chloro-6-methylphenyl)-6-hydrazinylpyridin-2-amine
CID 102762246
2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107805421
5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107801438
3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine
CID 114258206
3,5-dichloro-N-(3-fluoro-2-iodophenyl)-6-hydrazinylpyridin-2-amine
CID 114261764
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107800146
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107802085
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107802105
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002705
3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile
CID 107795514
3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid
CID 107799280
4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107805419

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile?
The IUPAC name of 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile (CID 107802103) is 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile?
The canonical SMILES for 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile is Cc1cccc(Nc2nc(NN)c(Cl)cc2Cl)c1C#N.
What is the InChIKey of 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile?
The InChIKey is SRFXWXCESGIZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N5/c1-7-3-2-4-11(8(7)6-16)18-12-9(14)5-10(15)13(19-12)20-17/h2-5H,17H2,1H3,(H2,18,19,20).
What are the key properties of 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile?
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile has a molecular weight of 308.17 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile is sourced from PubChem (CID 107802103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).