4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine

C11H10ClN3 — CID 61013980

IUPAC4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine
SMILESNc1ccc(Cl)c(Nc2ccccn2)c1
InChIInChI=1S/C11H10ClN3/c12-9-5-4-8(13)7-10(9)15-11-3-1-2-6-14-11/h1-7H,13H2,(H,14,15)
InChIKeyXWWBJLCPRKSLRW-UHFFFAOYSA-N
MW219.68 g/mol
LogP3.06
Rot. Bonds2

About 4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine

4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine (PubChem CID 61013980) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine
PubChem CID61013980
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine
SMILESNc1ccc(Cl)c(Nc2ccccn2)c1
InChIInChI=1S/C11H10ClN3/c12-9-5-4-8(13)7-10(9)15-11-3-1-2-6-14-11/h1-7H,13H2,(H,14,15)
InChIKeyXWWBJLCPRKSLRW-UHFFFAOYSA-N
XLogP3.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine
CID 4978947
4-chloro-3-N-pyrimidin-2-ylbenzene-1,3-diamine
CID 61013625
4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine
CID 61340093
N-(4-amino-2-chlorophenyl)-N'-pyridin-2-yloxamide
CID 108516076
4-chloro-3-N-(6-methylsulfanylpyrimidin-4-yl)benzene-1,3-diamine
CID 106973176
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
6-methyl-4-N-pyridin-2-ylpyridine-3,4-diamine
CID 90408825
4-chloro-3-N-(1,2,4-thiadiazol-5-yl)benzene-1,3-diamine
CID 65275930
4-chloro-3-N-(6-ethoxy-2-methylpyrimidin-4-yl)benzene-1,3-diamine
CID 66333720
2-bromopyridine;4,5-dimethylbenzene-1,2-diamine;4,5-dimethyl-1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine
CID 159991797
2-(5-amino-2-chloroanilino)benzenesulfonamide
CID 54903074
4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine
CID 114272209

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine?
The IUPAC name of 4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine (CID 61013980) is 4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine?
The canonical SMILES for 4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine is Nc1ccc(Cl)c(Nc2ccccn2)c1.
What is the InChIKey of 4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine?
The InChIKey is XWWBJLCPRKSLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-9-5-4-8(13)7-10(9)15-11-3-1-2-6-14-11/h1-7H,13H2,(H,14,15).
What are the key properties of 4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine?
4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine has a molecular weight of 219.68 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 61013980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).