2-(difluoromethoxy)-4-methylpyridine;ethane

C9H13F2NO — CID 157031932

IUPAC2-(difluoromethoxy)-4-methylpyridine;ethane
SMILESCC.Cc1ccnc(OC(F)F)c1
InChIInChI=1S/C7H7F2NO.C2H6/c1-5-2-3-10-6(4-5)11-7(8)9;1-2/h2-4,7H,1H3;1-2H3
InChIKeyQPSPOEQGECMUJC-UHFFFAOYSA-N
MW189.20 g/mol
LogP3.02
Rot. Bonds2

About 2-(difluoromethoxy)-4-methylpyridine;ethane

2-(difluoromethoxy)-4-methylpyridine;ethane (PubChem CID 157031932) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-methylpyridine;ethane.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-methylpyridine;ethane
PubChem CID157031932
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name2-(difluoromethoxy)-4-methylpyridine;ethane
SMILESCC.Cc1ccnc(OC(F)F)c1
InChIInChI=1S/C7H7F2NO.C2H6/c1-5-2-3-10-6(4-5)11-7(8)9;1-2/h2-4,7H,1H3;1-2H3
InChIKeyQPSPOEQGECMUJC-UHFFFAOYSA-N
XLogP3.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-methylpyridine;ethane?
The IUPAC name of 2-(difluoromethoxy)-4-methylpyridine;ethane (CID 157031932) is 2-(difluoromethoxy)-4-methylpyridine;ethane.
What is the SMILES notation for 2-(difluoromethoxy)-4-methylpyridine;ethane?
The canonical SMILES for 2-(difluoromethoxy)-4-methylpyridine;ethane is CC.Cc1ccnc(OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-4-methylpyridine;ethane?
The InChIKey is QPSPOEQGECMUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO.C2H6/c1-5-2-3-10-6(4-5)11-7(8)9;1-2/h2-4,7H,1H3;1-2H3.
What are the key properties of 2-(difluoromethoxy)-4-methylpyridine;ethane?
2-(difluoromethoxy)-4-methylpyridine;ethane has a molecular weight of 189.20 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-methylpyridine;ethane is sourced from PubChem (CID 157031932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).