2-(3-chloro-2-pyridinyl)benzene-1,4-diamine

C11H10ClN3 — CID 18415424

IUPAC2-(3-chloro-2-pyridinyl)benzene-1,4-diamine
SMILESNc1ccc(N)c(-c2ncccc2Cl)c1
InChIInChI=1S/C11H10ClN3/c12-9-2-1-5-15-11(9)8-6-7(13)3-4-10(8)14/h1-6H,13-14H2
InChIKeyBOSAQFAJWZXDPI-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.57
Rot. Bonds1

About 2-(3-chloro-2-pyridinyl)benzene-1,4-diamine

2-(3-chloro-2-pyridinyl)benzene-1,4-diamine (PubChem CID 18415424) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)benzene-1,4-diamine
PubChem CID18415424
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name2-(3-chloro-2-pyridinyl)benzene-1,4-diamine
SMILESNc1ccc(N)c(-c2ncccc2Cl)c1
InChIInChI=1S/C11H10ClN3/c12-9-2-1-5-15-11(9)8-6-7(13)3-4-10(8)14/h1-6H,13-14H2
InChIKeyBOSAQFAJWZXDPI-UHFFFAOYSA-N
XLogP2.57
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.57
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 2-(3-chloro-2-pyridinyl)benzene-1,4-diamine?
The IUPAC name of 2-(3-chloro-2-pyridinyl)benzene-1,4-diamine (CID 18415424) is 2-(3-chloro-2-pyridinyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)benzene-1,4-diamine?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)benzene-1,4-diamine is Nc1ccc(N)c(-c2ncccc2Cl)c1.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)benzene-1,4-diamine?
The InChIKey is BOSAQFAJWZXDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-9-2-1-5-15-11(9)8-6-7(13)3-4-10(8)14/h1-6H,13-14H2.
What are the key properties of 2-(3-chloro-2-pyridinyl)benzene-1,4-diamine?
2-(3-chloro-2-pyridinyl)benzene-1,4-diamine has a molecular weight of 219.68 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)benzene-1,4-diamine is sourced from PubChem (CID 18415424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).