[5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol

C7H5ClF3NO2 — CID 130089843

IUPAC[5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1cncc(Cl)c1OC(F)(F)F
InChIInChI=1S/C7H5ClF3NO2/c8-5-2-12-1-4(3-13)6(5)14-7(9,10)11/h1-2,13H,3H2
InChIKeyHHFOCHPHQZLCNI-UHFFFAOYSA-N
MW227.57 g/mol
LogP2.13
Rot. Bonds2

About [5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol

[5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 130089843) has the molecular formula C7H5ClF3NO2 and a molecular weight of 227.57 g/mol. Its IUPAC name is [5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID130089843
Molecular FormulaC7H5ClF3NO2
Molecular Weight227.57 g/mol
Exact Mass227.00
IUPAC Name[5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1cncc(Cl)c1OC(F)(F)F
InChIInChI=1S/C7H5ClF3NO2/c8-5-2-12-1-4(3-13)6(5)14-7(9,10)11/h1-2,13H,3H2
InChIKeyHHFOCHPHQZLCNI-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

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Related Compounds

2-(chloromethyl)-5-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol
CID 118838341
[5-iodo-6-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134660114
[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130089838
4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 118811553
5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol
CID 134677273
[4-iodo-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130112958
[4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089739
3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine
CID 130092435
[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134629503
[3-phenyl-2-(trifluoromethoxy)phenyl]methanol
CID 174537079
2-[5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133095484
[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 134671563

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol (CID 130089843) is [5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol is OCc1cncc(Cl)c1OC(F)(F)F.
What is the InChIKey of [5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is HHFOCHPHQZLCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2/c8-5-2-12-1-4(3-13)6(5)14-7(9,10)11/h1-2,13H,3H2.
What are the key properties of [5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol?
[5-chloro-4-(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 [5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 130089843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).