2-chloro-3-phenylmethoxypyridine

C12H10ClNO — CID 819374

IUPAC2-chloro-3-phenylmethoxypyridine
SMILESClc1ncccc1OCc1ccccc1
InChIInChI=1S/C12H10ClNO/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyQLLRUGRNZMPUIW-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.31
Rot. Bonds3

About 2-chloro-3-phenylmethoxypyridine

2-chloro-3-phenylmethoxypyridine (PubChem CID 819374) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 2-chloro-3-phenylmethoxypyridine.

Molecular Properties

Compound Name2-chloro-3-phenylmethoxypyridine
PubChem CID819374
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name2-chloro-3-phenylmethoxypyridine
SMILESClc1ncccc1OCc1ccccc1
InChIInChI=1S/C12H10ClNO/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyQLLRUGRNZMPUIW-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.31
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-3-phenylmethoxypyridine?
The IUPAC name of 2-chloro-3-phenylmethoxypyridine (CID 819374) is 2-chloro-3-phenylmethoxypyridine.
What is the SMILES notation for 2-chloro-3-phenylmethoxypyridine?
The canonical SMILES for 2-chloro-3-phenylmethoxypyridine is Clc1ncccc1OCc1ccccc1.
What is the InChIKey of 2-chloro-3-phenylmethoxypyridine?
The InChIKey is QLLRUGRNZMPUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 2-chloro-3-phenylmethoxypyridine?
2-chloro-3-phenylmethoxypyridine has a molecular weight of 219.67 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-phenylmethoxypyridine is sourced from PubChem (CID 819374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).