2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile

C12H8Cl2N4 — CID 115474241

IUPAC2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1nc(Cl)ccc1N
InChIInChI=1S/C12H8Cl2N4/c13-8-2-1-7(6-15)10(5-8)17-12-9(16)3-4-11(14)18-12/h1-5H,16H2,(H,17,18)
InChIKeyFNBCDQLICUZDJC-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.59
Rot. Bonds2

About 2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile

2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile (PubChem CID 115474241) has the molecular formula C12H8Cl2N4 and a molecular weight of 279.13 g/mol. Its IUPAC name is 2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile.

Molecular Properties

Compound Name2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile
PubChem CID115474241
Molecular FormulaC12H8Cl2N4
Molecular Weight279.13 g/mol
Exact Mass278.01
IUPAC Name2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1nc(Cl)ccc1N
InChIInChI=1S/C12H8Cl2N4/c13-8-2-1-7(6-15)10(5-8)17-12-9(16)3-4-11(14)18-12/h1-5H,16H2,(H,17,18)
InChIKeyFNBCDQLICUZDJC-UHFFFAOYSA-N
XLogP3.59
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(5-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 79918602
5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile
CID 103468593
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 114049863
2-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841595
4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
2-(2-amino-5-bromoanilino)-4-chlorobenzonitrile
CID 65342420
3-[(3-amino-6-chloro-2-pyridinyl)amino]-4-methylbenzonitrile
CID 115474055
4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile
CID 64918738
2-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80840403
2-[(6-aminopyrazin-2-yl)amino]-4-chlorobenzonitrile
CID 80647352
2-[(4-aminopyrimidin-2-yl)amino]-4-chlorobenzonitrile
CID 116796971
2-(2-amino-5-bromo-4-fluoroanilino)-4-chlorobenzonitrile
CID 116736023

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile?
The IUPAC name of 2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile (CID 115474241) is 2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile.
What is the SMILES notation for 2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile?
The canonical SMILES for 2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile is N#Cc1ccc(Cl)cc1Nc1nc(Cl)ccc1N.
What is the InChIKey of 2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile?
The InChIKey is FNBCDQLICUZDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4/c13-8-2-1-7(6-15)10(5-8)17-12-9(16)3-4-11(14)18-12/h1-5H,16H2,(H,17,18).
What are the key properties of 2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile?
2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile has a molecular weight of 279.13 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile is sourced from PubChem (CID 115474241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).