2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane

C12H19F2NO — CID 169136578

IUPAC2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane
SMILESCC.CC(C)Cc1ccc(OC(F)F)nc1
InChIInChI=1S/C10H13F2NO.C2H6/c1-7(2)5-8-3-4-9(13-6-8)14-10(11)12;1-2/h3-4,6-7,10H,5H2,1-2H3;1-2H3
InChIKeyZJYOIZSNINJUCT-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.91
Rot. Bonds4

About 2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane

2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane (PubChem CID 169136578) has the molecular formula C12H19F2NO and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane
PubChem CID169136578
Molecular FormulaC12H19F2NO
Molecular Weight231.29 g/mol
Exact Mass231.14
IUPAC Name2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane
SMILESCC.CC(C)Cc1ccc(OC(F)F)nc1
InChIInChI=1S/C10H13F2NO.C2H6/c1-7(2)5-8-3-4-9(13-6-8)14-10(11)12;1-2/h3-4,6-7,10H,5H2,1-2H3;1-2H3
InChIKeyZJYOIZSNINJUCT-UHFFFAOYSA-N
XLogP3.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2-methylpropyl)-2-pyridinyl] formate
CID 172512875
5-(bromomethyl)-2-propan-2-yloxypyridine
CID 130153198
6-(difluoromethoxy)-N-methylpyridin-3-amine
CID 122647422
2-ethyl-5-(2-methylpropyl)pyridine
CID 126548709
methane;5-(2-methylpropyl)-2-propan-2-ylpyridine
CID 158292296
ethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene
CID 170577342
6-(difluoromethoxy)-N-propan-2-ylpyridine-3-carboxamide
CID 155585909
5-(isocyanomethyl)-2-propan-2-yloxypyridine
CID 87652997
2-(4-methylphenyl)-5-(2-methylpropyl)pyridine
CID 71106004
7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane
CID 162746053
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013
5-(2-methylpropyl)-2-prop-1-en-2-ylpyridine
CID 146203799

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane?
The IUPAC name of 2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane (CID 169136578) is 2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane.
What is the SMILES notation for 2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane?
The canonical SMILES for 2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane is CC.CC(C)Cc1ccc(OC(F)F)nc1.
What is the InChIKey of 2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane?
The InChIKey is ZJYOIZSNINJUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO.C2H6/c1-7(2)5-8-3-4-9(13-6-8)14-10(11)12;1-2/h3-4,6-7,10H,5H2,1-2H3;1-2H3.
What are the key properties of 2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane?
2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane has a molecular weight of 231.29 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane is sourced from PubChem (CID 169136578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).