4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol

C7H5ClF3NO3 — CID 118811553

IUPAC4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol
SMILESOCc1nc(OC(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C7H5ClF3NO3/c8-3-1-5(15-7(9,10)11)12-4(2-13)6(3)14/h1,13-14H,2H2
InChIKeyNNEDMPNCQTVCTN-UHFFFAOYSA-N
MW243.57 g/mol
LogP1.83
Rot. Bonds2

About 4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol

4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol (PubChem CID 118811553) has the molecular formula C7H5ClF3NO3 and a molecular weight of 243.57 g/mol. Its IUPAC name is 4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol
PubChem CID118811553
Molecular FormulaC7H5ClF3NO3
Molecular Weight243.57 g/mol
Exact Mass242.99
IUPAC Name4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol
SMILESOCc1nc(OC(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C7H5ClF3NO3/c8-3-1-5(15-7(9,10)11)12-4(2-13)6(3)14/h1,13-14H,2H2
InChIKeyNNEDMPNCQTVCTN-UHFFFAOYSA-N
XLogP1.83
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.57
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(fluoromethyl)-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridin-3-ol
CID 134681363
4-chloro-6-methoxy-2-(trifluoromethoxy)pyridin-3-ol
CID 118817216
[3-iodo-4-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134664598
2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol
CID 130785777
[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118807357
[4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 134668935
[4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118850873
3-(aminomethyl)-4-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 119016292
[5-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130089843
[2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134671632
4-(hydroxymethyl)-6-methoxy-2-(trifluoromethoxy)pyridin-3-ol
CID 134665683
[3-methoxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134663125

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol (CID 118811553) is 4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol is OCc1nc(OC(F)(F)F)cc(Cl)c1O.
What is the InChIKey of 4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is NNEDMPNCQTVCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO3/c8-3-1-5(15-7(9,10)11)12-4(2-13)6(3)14/h1,13-14H,2H2.
What are the key properties of 4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol?
4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 243.57 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 118811553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).