1-(2,2-difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine

C10H13F2NO — CID 162194484

IUPAC1-(2,2-difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine
SMILESC=C1C(OC)=CC(C)=CN1CC(F)F
InChIInChI=1S/C10H13F2NO/c1-7-4-9(14-3)8(2)13(5-7)6-10(11)12/h4-5,10H,2,6H2,1,3H3
InChIKeyYQRRVYNRMDUNFR-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.51
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine

1-(2,2-difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine (PubChem CID 162194484) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine
PubChem CID162194484
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-(2,2-difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine
SMILESC=C1C(OC)=CC(C)=CN1CC(F)F
InChIInChI=1S/C10H13F2NO/c1-7-4-9(14-3)8(2)13(5-7)6-10(11)12/h4-5,10H,2,6H2,1,3H3
InChIKeyYQRRVYNRMDUNFR-UHFFFAOYSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine
CID 123792333
6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine
CID 138703019
5-methoxy-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
CID 157089352
3-(Difluoromethoxy)-1,5-dimethyl-2-methylidenepyridine
CID 164117242
5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine
CID 166823900
N,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
CID 173180346
3-Methoxy-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine
CID 157089353
(2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine
CID 164910600
3-Methoxy-5-methyl-2-methylidene-1-prop-1-en-2-ylpyridine
CID 130255753
ethane;(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
CID 144607397
(2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 144782762
1-ethyl-5-methoxy-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium
CID 161880564

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine (CID 162194484) is 1-(2,2-difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine is C=C1C(OC)=CC(C)=CN1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine?
The InChIKey is YQRRVYNRMDUNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-7-4-9(14-3)8(2)13(5-7)6-10(11)12/h4-5,10H,2,6H2,1,3H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine?
1-(2,2-difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine has a molecular weight of 201.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine is sourced from PubChem (CID 162194484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).