6-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyridin-3-ol

C12H6F5NO — CID 133091318

IUPAC6-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyridin-3-ol
SMILESCc1ccc(O)c(-c2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C12H6F5NO/c1-4-2-3-5(19)12(18-4)6-7(13)9(15)11(17)10(16)8(6)14/h2-3,19H,1H3
InChIKeyCICCLIJKEFXUPV-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.46
Rot. Bonds1

About 6-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyridin-3-ol

6-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyridin-3-ol (PubChem CID 133091318) has the molecular formula C12H6F5NO and a molecular weight of 275.18 g/mol. Its IUPAC name is 6-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyridin-3-ol
PubChem CID133091318
Molecular FormulaC12H6F5NO
Molecular Weight275.18 g/mol
Exact Mass275.04
IUPAC Name6-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyridin-3-ol
SMILESCc1ccc(O)c(-c2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C12H6F5NO/c1-4-2-3-5(19)12(18-4)6-7(13)9(15)11(17)10(16)8(6)14/h2-3,19H,1H3
InChIKeyCICCLIJKEFXUPV-UHFFFAOYSA-N
XLogP3.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyridin-3-ol?
The IUPAC name of 6-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyridin-3-ol (CID 133091318) is 6-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyridin-3-ol?
The canonical SMILES for 6-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyridin-3-ol is Cc1ccc(O)c(-c2c(F)c(F)c(F)c(F)c2F)n1.
What is the InChIKey of 6-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyridin-3-ol?
The InChIKey is CICCLIJKEFXUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F5NO/c1-4-2-3-5(19)12(18-4)6-7(13)9(15)11(17)10(16)8(6)14/h2-3,19H,1H3.
What are the key properties of 6-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyridin-3-ol?
6-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyridin-3-ol has a molecular weight of 275.18 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyridin-3-ol is sourced from PubChem (CID 133091318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).