1-(6-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanol

C8H7ClF3NO — CID 59525938

IUPAC1-(6-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanol
SMILESCc1nc(Cl)ccc1C(O)C(F)(F)F
InChIInChI=1S/C8H7ClF3NO/c1-4-5(2-3-6(9)13-4)7(14)8(10,11)12/h2-3,7,14H,1H3
InChIKeySQHNLPUBAFZBTR-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.64
Rot. Bonds1

About 1-(6-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanol

1-(6-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanol (PubChem CID 59525938) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 1-(6-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(6-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanol
PubChem CID59525938
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name1-(6-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanol
SMILESCc1nc(Cl)ccc1C(O)C(F)(F)F
InChIInChI=1S/C8H7ClF3NO/c1-4-5(2-3-6(9)13-4)7(14)8(10,11)12/h2-3,7,14H,1H3
InChIKeySQHNLPUBAFZBTR-UHFFFAOYSA-N
XLogP2.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.64
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 1-(6-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(6-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanol (CID 59525938) is 1-(6-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(6-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(6-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanol is Cc1nc(Cl)ccc1C(O)C(F)(F)F.
What is the InChIKey of 1-(6-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanol?
The InChIKey is SQHNLPUBAFZBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-4-5(2-3-6(9)13-4)7(14)8(10,11)12/h2-3,7,14H,1H3.
What are the key properties of 1-(6-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanol?
1-(6-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanol has a molecular weight of 225.60 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 59525938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).