4-chloro-2-phenylmethoxypyridine

C12H10ClNO — CID 54328072

IUPAC4-chloro-2-phenylmethoxypyridine
SMILESClc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C12H10ClNO/c13-11-6-7-14-12(8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyYVYOMLRBHNXGEU-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.31
Rot. Bonds3

About 4-chloro-2-phenylmethoxypyridine

4-chloro-2-phenylmethoxypyridine (PubChem CID 54328072) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 4-chloro-2-phenylmethoxypyridine.

Molecular Properties

Compound Name4-chloro-2-phenylmethoxypyridine
PubChem CID54328072
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name4-chloro-2-phenylmethoxypyridine
SMILESClc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C12H10ClNO/c13-11-6-7-14-12(8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyYVYOMLRBHNXGEU-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenylmethoxypyridine?
The IUPAC name of 4-chloro-2-phenylmethoxypyridine (CID 54328072) is 4-chloro-2-phenylmethoxypyridine.
What is the SMILES notation for 4-chloro-2-phenylmethoxypyridine?
The canonical SMILES for 4-chloro-2-phenylmethoxypyridine is Clc1ccnc(OCc2ccccc2)c1.
What is the InChIKey of 4-chloro-2-phenylmethoxypyridine?
The InChIKey is YVYOMLRBHNXGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c13-11-6-7-14-12(8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 4-chloro-2-phenylmethoxypyridine?
4-chloro-2-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 4-chloro-2-phenylmethoxypyridine is sourced from PubChem (CID 54328072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).