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

C11H10ClN3 — CID 115127653

IUPAC4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine
SMILESNc1ccc(Cl)cc1Nc1cccnc1
InChIInChI=1S/C11H10ClN3/c12-8-3-4-10(13)11(6-8)15-9-2-1-5-14-7-9/h1-7,15H,13H2
InChIKeyFEFGHKIBMSDCDK-UHFFFAOYSA-N
MW219.68 g/mol
LogP3.06
Rot. Bonds2

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

4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine (PubChem CID 115127653) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine
PubChem CID115127653
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine
SMILESNc1ccc(Cl)cc1Nc1cccnc1
InChIInChI=1S/C11H10ClN3/c12-8-3-4-10(13)11(6-8)15-9-2-1-5-14-7-9/h1-7,15H,13H2
InChIKeyFEFGHKIBMSDCDK-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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Related Compounds

2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine
CID 71505179
N-(5-chloro-2-methylphenyl)pyridin-3-amine
CID 82536338
4-chloro-2-(pyridin-3-ylamino)phenol
CID 102179670
4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
N-(2,3,4-trifluorophenyl)pyridin-3-amine
CID 82537499
6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145485
4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 2815904
2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine
CID 155166401
4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115468541
4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 115468540
4-chloro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 113315750

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine (CID 115127653) is 4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine is Nc1ccc(Cl)cc1Nc1cccnc1.
What is the InChIKey of 4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine?
The InChIKey is FEFGHKIBMSDCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-8-3-4-10(13)11(6-8)15-9-2-1-5-14-7-9/h1-7,15H,13H2.
What are the key properties of 4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine?
4-chloro-2-N-pyridin-3-ylbenzene-1,2-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-2-N-pyridin-3-ylbenzene-1,2-diamine is sourced from PubChem (CID 115127653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).