[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol

C7H5ClF3NO2 — CID 130089838

IUPAC[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1ccc(Cl)nc1OC(F)(F)F
InChIInChI=1S/C7H5ClF3NO2/c8-5-2-1-4(3-13)6(12-5)14-7(9,10)11/h1-2,13H,3H2
InChIKeyPLCBFBRNNCMZJC-UHFFFAOYSA-N
MW227.57 g/mol
LogP2.13
Rot. Bonds2

About [6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol

[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 130089838) has the molecular formula C7H5ClF3NO2 and a molecular weight of 227.57 g/mol. Its IUPAC name is [6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID130089838
Molecular FormulaC7H5ClF3NO2
Molecular Weight227.57 g/mol
Exact Mass227.00
IUPAC Name[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1ccc(Cl)nc1OC(F)(F)F
InChIInChI=1S/C7H5ClF3NO2/c8-5-2-1-4(3-13)6(12-5)14-7(9,10)11/h1-2,13H,3H2
InChIKeyPLCBFBRNNCMZJC-UHFFFAOYSA-N
XLogP2.13
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.57
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089749
[6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 134630815
(6-chloro-2-propan-2-yloxy-3-pyridinyl)methanol
CID 169081773
[6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118849345
(2-bromo-6-chloro-3-pyridinyl)methanol
CID 70701000
[5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130112945
[5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130089843
[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680161
[6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118803901
[5-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134662929
[3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085846
6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine
CID 130089776

Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol (CID 130089838) is [6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol is OCc1ccc(Cl)nc1OC(F)(F)F.
What is the InChIKey of [6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is PLCBFBRNNCMZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2/c8-5-2-1-4(3-13)6(12-5)14-7(9,10)11/h1-2,13H,3H2.
What are the key properties of [6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol?
[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol has a molecular weight of 227.57 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 130089838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).