4-(2-chloro-3-pyridinyl)aniline

C11H9ClN2 — CID 87599864

IUPAC4-(2-chloro-3-pyridinyl)aniline
SMILESNc1ccc(-c2cccnc2Cl)cc1
InChIInChI=1S/C11H9ClN2/c12-11-10(2-1-7-14-11)8-3-5-9(13)6-4-8/h1-7H,13H2
InChIKeyVOGCTDGPAGZRIC-UHFFFAOYSA-N
MW204.66 g/mol
LogP2.98
Rot. Bonds1

About 4-(2-chloro-3-pyridinyl)aniline

4-(2-chloro-3-pyridinyl)aniline (PubChem CID 87599864) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 4-(2-chloro-3-pyridinyl)aniline.

Molecular Properties

Compound Name4-(2-chloro-3-pyridinyl)aniline
PubChem CID87599864
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name4-(2-chloro-3-pyridinyl)aniline
SMILESNc1ccc(-c2cccnc2Cl)cc1
InChIInChI=1S/C11H9ClN2/c12-11-10(2-1-7-14-11)8-3-5-9(13)6-4-8/h1-7H,13H2
InChIKeyVOGCTDGPAGZRIC-UHFFFAOYSA-N
XLogP2.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-pyridinyl)aniline?
The IUPAC name of 4-(2-chloro-3-pyridinyl)aniline (CID 87599864) is 4-(2-chloro-3-pyridinyl)aniline.
What is the SMILES notation for 4-(2-chloro-3-pyridinyl)aniline?
The canonical SMILES for 4-(2-chloro-3-pyridinyl)aniline is Nc1ccc(-c2cccnc2Cl)cc1.
What is the InChIKey of 4-(2-chloro-3-pyridinyl)aniline?
The InChIKey is VOGCTDGPAGZRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c12-11-10(2-1-7-14-11)8-3-5-9(13)6-4-8/h1-7H,13H2.
What are the key properties of 4-(2-chloro-3-pyridinyl)aniline?
4-(2-chloro-3-pyridinyl)aniline has a molecular weight of 204.66 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-pyridinyl)aniline is sourced from PubChem (CID 87599864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).