4-chloro-3-(1-methoxyethoxy)-2-methylpyridine

C9H12ClNO2 — CID 19926460

IUPAC4-chloro-3-(1-methoxyethoxy)-2-methylpyridine
SMILESCOC(C)Oc1c(Cl)ccnc1C
InChIInChI=1S/C9H12ClNO2/c1-6-9(13-7(2)12-3)8(10)4-5-11-6/h4-5,7H,1-3H3
InChIKeyBCCVNFYJZKXHKG-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.41
Rot. Bonds3

About 4-chloro-3-(1-methoxyethoxy)-2-methylpyridine

4-chloro-3-(1-methoxyethoxy)-2-methylpyridine (PubChem CID 19926460) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 4-chloro-3-(1-methoxyethoxy)-2-methylpyridine.

Molecular Properties

Compound Name4-chloro-3-(1-methoxyethoxy)-2-methylpyridine
PubChem CID19926460
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name4-chloro-3-(1-methoxyethoxy)-2-methylpyridine
SMILESCOC(C)Oc1c(Cl)ccnc1C
InChIInChI=1S/C9H12ClNO2/c1-6-9(13-7(2)12-3)8(10)4-5-11-6/h4-5,7H,1-3H3
InChIKeyBCCVNFYJZKXHKG-UHFFFAOYSA-N
XLogP2.41
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1-methoxyethoxy)-2-methylpyridine?
The IUPAC name of 4-chloro-3-(1-methoxyethoxy)-2-methylpyridine (CID 19926460) is 4-chloro-3-(1-methoxyethoxy)-2-methylpyridine.
What is the SMILES notation for 4-chloro-3-(1-methoxyethoxy)-2-methylpyridine?
The canonical SMILES for 4-chloro-3-(1-methoxyethoxy)-2-methylpyridine is COC(C)Oc1c(Cl)ccnc1C.
What is the InChIKey of 4-chloro-3-(1-methoxyethoxy)-2-methylpyridine?
The InChIKey is BCCVNFYJZKXHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-6-9(13-7(2)12-3)8(10)4-5-11-6/h4-5,7H,1-3H3.
What are the key properties of 4-chloro-3-(1-methoxyethoxy)-2-methylpyridine?
4-chloro-3-(1-methoxyethoxy)-2-methylpyridine has a molecular weight of 201.65 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1-methoxyethoxy)-2-methylpyridine is sourced from PubChem (CID 19926460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).