2-chloro-6-methyl-4H-pyran

C6H7ClO — CID 57246245

IUPAC2-chloro-6-methyl-4H-pyran
SMILESCC1=CCC=C(Cl)O1
InChIInChI=1S/C6H7ClO/c1-5-3-2-4-6(7)8-5/h3-4H,2H2,1H3
InChIKeyRGHWXZAAWCKRKK-UHFFFAOYSA-N
MW130.57 g/mol
LogP2.39
Rot. Bonds

About 2-chloro-6-methyl-4H-pyran

2-chloro-6-methyl-4H-pyran (PubChem CID 57246245) has the molecular formula C6H7ClO and a molecular weight of 130.57 g/mol. Its IUPAC name is 2-chloro-6-methyl-4H-pyran.

Molecular Properties

Compound Name2-chloro-6-methyl-4H-pyran
PubChem CID57246245
Molecular FormulaC6H7ClO
Molecular Weight130.57 g/mol
Exact Mass130.02
IUPAC Name2-chloro-6-methyl-4H-pyran
SMILESCC1=CCC=C(Cl)O1
InChIInChI=1S/C6H7ClO/c1-5-3-2-4-6(7)8-5/h3-4H,2H2,1H3
InChIKeyRGHWXZAAWCKRKK-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.57
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4H-pyran?
The IUPAC name of 2-chloro-6-methyl-4H-pyran (CID 57246245) is 2-chloro-6-methyl-4H-pyran.
What is the SMILES notation for 2-chloro-6-methyl-4H-pyran?
The canonical SMILES for 2-chloro-6-methyl-4H-pyran is CC1=CCC=C(Cl)O1.
What is the InChIKey of 2-chloro-6-methyl-4H-pyran?
The InChIKey is RGHWXZAAWCKRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO/c1-5-3-2-4-6(7)8-5/h3-4H,2H2,1H3.
What are the key properties of 2-chloro-6-methyl-4H-pyran?
2-chloro-6-methyl-4H-pyran has a molecular weight of 130.57 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4H-pyran is sourced from PubChem (CID 57246245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).