2-(6-chloro-4-methyl-2-pyridinyl)-2,2-difluoroethanol

C8H8ClF2NO — CID 170640924

IUPAC2-(6-chloro-4-methyl-2-pyridinyl)-2,2-difluoroethanol
SMILESCc1cc(Cl)nc(C(F)(F)CO)c1
InChIInChI=1S/C8H8ClF2NO/c1-5-2-6(8(10,11)4-13)12-7(9)3-5/h2-3,13H,4H2,1H3
InChIKeyDMLLRGVAYGQIAZ-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.13
Rot. Bonds2

About 2-(6-chloro-4-methyl-2-pyridinyl)-2,2-difluoroethanol

2-(6-chloro-4-methyl-2-pyridinyl)-2,2-difluoroethanol (PubChem CID 170640924) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 2-(6-chloro-4-methyl-2-pyridinyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(6-chloro-4-methyl-2-pyridinyl)-2,2-difluoroethanol
PubChem CID170640924
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name2-(6-chloro-4-methyl-2-pyridinyl)-2,2-difluoroethanol
SMILESCc1cc(Cl)nc(C(F)(F)CO)c1
InChIInChI=1S/C8H8ClF2NO/c1-5-2-6(8(10,11)4-13)12-7(9)3-5/h2-3,13H,4H2,1H3
InChIKeyDMLLRGVAYGQIAZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methyl-2-pyridinyl)-2,2-difluoroethanol?
The IUPAC name of 2-(6-chloro-4-methyl-2-pyridinyl)-2,2-difluoroethanol (CID 170640924) is 2-(6-chloro-4-methyl-2-pyridinyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(6-chloro-4-methyl-2-pyridinyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(6-chloro-4-methyl-2-pyridinyl)-2,2-difluoroethanol is Cc1cc(Cl)nc(C(F)(F)CO)c1.
What is the InChIKey of 2-(6-chloro-4-methyl-2-pyridinyl)-2,2-difluoroethanol?
The InChIKey is DMLLRGVAYGQIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c1-5-2-6(8(10,11)4-13)12-7(9)3-5/h2-3,13H,4H2,1H3.
What are the key properties of 2-(6-chloro-4-methyl-2-pyridinyl)-2,2-difluoroethanol?
2-(6-chloro-4-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-(6-chloro-4-methyl-2-pyridinyl)-2,2-difluoroethanol is sourced from PubChem (CID 170640924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).