3-chloro-2-methoxypyridine

C6H6ClNO — CID 13295749

IUPAC3-chloro-2-methoxypyridine
SMILESCOc1ncccc1Cl
InChIInChI=1S/C6H6ClNO/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3
InChIKeyMSICGKUDCSUMJZ-UHFFFAOYSA-N
MW143.57 g/mol
LogP1.74
Rot. Bonds1

About 3-chloro-2-methoxypyridine

3-chloro-2-methoxypyridine (PubChem CID 13295749) has the molecular formula C6H6ClNO and a molecular weight of 143.57 g/mol. Its IUPAC name is 3-chloro-2-methoxypyridine.

Molecular Properties

Compound Name3-chloro-2-methoxypyridine
PubChem CID13295749
Molecular FormulaC6H6ClNO
Molecular Weight143.57 g/mol
Exact Mass143.01
IUPAC Name3-chloro-2-methoxypyridine
SMILESCOc1ncccc1Cl
InChIInChI=1S/C6H6ClNO/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3
InChIKeyMSICGKUDCSUMJZ-UHFFFAOYSA-N
XLogP1.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.57
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxypyridine?
The IUPAC name of 3-chloro-2-methoxypyridine (CID 13295749) is 3-chloro-2-methoxypyridine.
What is the SMILES notation for 3-chloro-2-methoxypyridine?
The canonical SMILES for 3-chloro-2-methoxypyridine is COc1ncccc1Cl.
What is the InChIKey of 3-chloro-2-methoxypyridine?
The InChIKey is MSICGKUDCSUMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3.
What are the key properties of 3-chloro-2-methoxypyridine?
3-chloro-2-methoxypyridine has a molecular weight of 143.57 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxypyridine is sourced from PubChem (CID 13295749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).