6-chloro-N-phenylpyridin-3-amine

C11H9ClN2 — CID 175055218

IUPAC6-chloro-N-phenylpyridin-3-amine
SMILESClc1ccc(Nc2ccccc2)cn1
InChIInChI=1S/C11H9ClN2/c12-11-7-6-10(8-13-11)14-9-4-2-1-3-5-9/h1-8,14H
InChIKeyDSTXSWPBQICCJM-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.48
Rot. Bonds2

About 6-chloro-N-phenylpyridin-3-amine

6-chloro-N-phenylpyridin-3-amine (PubChem CID 175055218) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 6-chloro-N-phenylpyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-phenylpyridin-3-amine
PubChem CID175055218
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name6-chloro-N-phenylpyridin-3-amine
SMILESClc1ccc(Nc2ccccc2)cn1
InChIInChI=1S/C11H9ClN2/c12-11-7-6-10(8-13-11)14-9-4-2-1-3-5-9/h1-8,14H
InChIKeyDSTXSWPBQICCJM-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-phenylpyridin-3-amine?
The IUPAC name of 6-chloro-N-phenylpyridin-3-amine (CID 175055218) is 6-chloro-N-phenylpyridin-3-amine.
What is the SMILES notation for 6-chloro-N-phenylpyridin-3-amine?
The canonical SMILES for 6-chloro-N-phenylpyridin-3-amine is Clc1ccc(Nc2ccccc2)cn1.
What is the InChIKey of 6-chloro-N-phenylpyridin-3-amine?
The InChIKey is DSTXSWPBQICCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c12-11-7-6-10(8-13-11)14-9-4-2-1-3-5-9/h1-8,14H.
What are the key properties of 6-chloro-N-phenylpyridin-3-amine?
6-chloro-N-phenylpyridin-3-amine has a molecular weight of 204.66 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-phenylpyridin-3-amine is sourced from PubChem (CID 175055218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).