2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol

C8H8ClF2NO — CID 90379824

IUPAC2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol
SMILESCc1cnc(C(F)(F)CO)c(Cl)c1
InChIInChI=1S/C8H8ClF2NO/c1-5-2-6(9)7(12-3-5)8(10,11)4-13/h2-3,13H,4H2,1H3
InChIKeyOJCHXOGGXKBKLW-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.13
Rot. Bonds2

About 2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol

2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol (PubChem CID 90379824) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol
PubChem CID90379824
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol
SMILESCc1cnc(C(F)(F)CO)c(Cl)c1
InChIInChI=1S/C8H8ClF2NO/c1-5-2-6(9)7(12-3-5)8(10,11)4-13/h2-3,13H,4H2,1H3
InChIKeyOJCHXOGGXKBKLW-UHFFFAOYSA-N
XLogP2.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol?
The IUPAC name of 2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol (CID 90379824) is 2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol is Cc1cnc(C(F)(F)CO)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol?
The InChIKey is OJCHXOGGXKBKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c1-5-2-6(9)7(12-3-5)8(10,11)4-13/h2-3,13H,4H2,1H3.
What are the key properties of 2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol?
2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol has a molecular weight of 207.61 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol is sourced from PubChem (CID 90379824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).