2-chloro-5-pyridin-3-ylpyridine

C10H7ClN2 — CID 10081254

IUPAC2-chloro-5-pyridin-3-ylpyridine
SMILESClc1ccc(-c2cccnc2)cn1
InChIInChI=1S/C10H7ClN2/c11-10-4-3-9(7-13-10)8-2-1-5-12-6-8/h1-7H
InChIKeyYCGSHYGAGAYBMU-UHFFFAOYSA-N
MW190.63 g/mol
LogP2.80
Rot. Bonds1

About 2-chloro-5-pyridin-3-ylpyridine

2-chloro-5-pyridin-3-ylpyridine (PubChem CID 10081254) has the molecular formula C10H7ClN2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 2-chloro-5-pyridin-3-ylpyridine.

Molecular Properties

Compound Name2-chloro-5-pyridin-3-ylpyridine
PubChem CID10081254
Molecular FormulaC10H7ClN2
Molecular Weight190.63 g/mol
Exact Mass190.03
IUPAC Name2-chloro-5-pyridin-3-ylpyridine
SMILESClc1ccc(-c2cccnc2)cn1
InChIInChI=1S/C10H7ClN2/c11-10-4-3-9(7-13-10)8-2-1-5-12-6-8/h1-7H
InChIKeyYCGSHYGAGAYBMU-UHFFFAOYSA-N
XLogP2.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 52.80
H-Bond Donors ≤ 50
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 2-chloro-5-pyridin-3-ylpyridine?
The IUPAC name of 2-chloro-5-pyridin-3-ylpyridine (CID 10081254) is 2-chloro-5-pyridin-3-ylpyridine.
What is the SMILES notation for 2-chloro-5-pyridin-3-ylpyridine?
The canonical SMILES for 2-chloro-5-pyridin-3-ylpyridine is Clc1ccc(-c2cccnc2)cn1.
What is the InChIKey of 2-chloro-5-pyridin-3-ylpyridine?
The InChIKey is YCGSHYGAGAYBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2/c11-10-4-3-9(7-13-10)8-2-1-5-12-6-8/h1-7H.
What are the key properties of 2-chloro-5-pyridin-3-ylpyridine?
2-chloro-5-pyridin-3-ylpyridine has a molecular weight of 190.63 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-pyridin-3-ylpyridine is sourced from PubChem (CID 10081254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).