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'}

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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).