5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile

C12H9ClN4 — CID 115490340

IUPAC5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2cc(N)ccc2Cl)cn1
InChIInChI=1S/C12H9ClN4/c13-11-4-1-8(15)5-12(11)17-10-3-2-9(6-14)16-7-10/h1-5,7,17H,15H2
InChIKeyQOGGTZGAKLNNPN-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.93
Rot. Bonds2

About 5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile

5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile (PubChem CID 115490340) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile
PubChem CID115490340
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2cc(N)ccc2Cl)cn1
InChIInChI=1S/C12H9ClN4/c13-11-4-1-8(15)5-12(11)17-10-3-2-9(6-14)16-7-10/h1-5,7,17H,15H2
InChIKeyQOGGTZGAKLNNPN-UHFFFAOYSA-N
XLogP2.93
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dichloroanilino)pyridine-2-carbonitrile
CID 113320534
5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile
CID 116784530
5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 83087655
5-(2-bromoanilino)pyridine-2-carbonitrile
CID 115487447
5-(5-cyano-2-methylanilino)pyridine-2-carbonitrile
CID 115487650
4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine
CID 114272209
2-(5-amino-2-chloroanilino)-5-nitropyridine-3-carbonitrile
CID 62099572
5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile
CID 115490495
4-chloro-3-N-pyrimidin-2-ylbenzene-1,3-diamine
CID 61013625
4-(2,5-dichloroanilino)pyridine-2-carbonitrile
CID 62926848
5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile
CID 115487429
5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 115487418

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile?
The IUPAC name of 5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile (CID 115490340) is 5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile is N#Cc1ccc(Nc2cc(N)ccc2Cl)cn1.
What is the InChIKey of 5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile?
The InChIKey is QOGGTZGAKLNNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-11-4-1-8(15)5-12(11)17-10-3-2-9(6-14)16-7-10/h1-5,7,17H,15H2.
What are the key properties of 5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile?
5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile has a molecular weight of 244.69 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 115490340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).