[3-(5-bromo-2-pyridinyl)-2,2-difluoro-1-methylcyclopropyl]methanol;ethane

C12H16BrF2NO — CID 171814991

IUPAC[3-(5-bromo-2-pyridinyl)-2,2-difluoro-1-methylcyclopropyl]methanol;ethane
SMILESCC.CC1(CO)C(c2ccc(Br)cn2)C1(F)F
InChIInChI=1S/C10H10BrF2NO.C2H6/c1-9(5-15)8(10(9,12)13)7-3-2-6(11)4-14-7;1-2/h2-4,8,15H,5H2,1H3;1-2H3
InChIKeyLGIQIEJQPSBFEK-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.60
Rot. Bonds2

About [3-(5-bromo-2-pyridinyl)-2,2-difluoro-1-methylcyclopropyl]methanol;ethane

[3-(5-bromo-2-pyridinyl)-2,2-difluoro-1-methylcyclopropyl]methanol;ethane (PubChem CID 171814991) has the molecular formula C12H16BrF2NO and a molecular weight of 308.17 g/mol. Its IUPAC name is [3-(5-bromo-2-pyridinyl)-2,2-difluoro-1-methylcyclopropyl]methanol;ethane.

Molecular Properties

Compound Name[3-(5-bromo-2-pyridinyl)-2,2-difluoro-1-methylcyclopropyl]methanol;ethane
PubChem CID171814991
Molecular FormulaC12H16BrF2NO
Molecular Weight308.17 g/mol
Exact Mass307.04
IUPAC Name[3-(5-bromo-2-pyridinyl)-2,2-difluoro-1-methylcyclopropyl]methanol;ethane
SMILESCC.CC1(CO)C(c2ccc(Br)cn2)C1(F)F
InChIInChI=1S/C10H10BrF2NO.C2H6/c1-9(5-15)8(10(9,12)13)7-3-2-6(11)4-14-7;1-2/h2-4,8,15H,5H2,1H3;1-2H3
InChIKeyLGIQIEJQPSBFEK-UHFFFAOYSA-N
XLogP3.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(5-bromo-2-pyridinyl)-2,2-difluoro-1-methylcyclopropyl]methanol;ethane?
The IUPAC name of [3-(5-bromo-2-pyridinyl)-2,2-difluoro-1-methylcyclopropyl]methanol;ethane (CID 171814991) is [3-(5-bromo-2-pyridinyl)-2,2-difluoro-1-methylcyclopropyl]methanol;ethane.
What is the SMILES notation for [3-(5-bromo-2-pyridinyl)-2,2-difluoro-1-methylcyclopropyl]methanol;ethane?
The canonical SMILES for [3-(5-bromo-2-pyridinyl)-2,2-difluoro-1-methylcyclopropyl]methanol;ethane is CC.CC1(CO)C(c2ccc(Br)cn2)C1(F)F.
What is the InChIKey of [3-(5-bromo-2-pyridinyl)-2,2-difluoro-1-methylcyclopropyl]methanol;ethane?
The InChIKey is LGIQIEJQPSBFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO.C2H6/c1-9(5-15)8(10(9,12)13)7-3-2-6(11)4-14-7;1-2/h2-4,8,15H,5H2,1H3;1-2H3.
What are the key properties of [3-(5-bromo-2-pyridinyl)-2,2-difluoro-1-methylcyclopropyl]methanol;ethane?
[3-(5-bromo-2-pyridinyl)-2,2-difluoro-1-methylcyclopropyl]methanol;ethane has a molecular weight of 308.17 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromo-2-pyridinyl)-2,2-difluoro-1-methylcyclopropyl]methanol;ethane is sourced from PubChem (CID 171814991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).