6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol

C8H7ClF3NO3 — CID 130112453

IUPAC6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol
SMILESOCc1c(O)cnc(CCl)c1OC(F)(F)F
InChIInChI=1S/C8H7ClF3NO3/c9-1-5-7(16-8(10,11)12)4(3-14)6(15)2-13-5/h2,14-15H,1,3H2
InChIKeyXOYQMFVWTFBULS-UHFFFAOYSA-N
MW257.59 g/mol
LogP1.92
Rot. Bonds3

About 6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol

6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol (PubChem CID 130112453) has the molecular formula C8H7ClF3NO3 and a molecular weight of 257.59 g/mol. Its IUPAC name is 6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol
PubChem CID130112453
Molecular FormulaC8H7ClF3NO3
Molecular Weight257.59 g/mol
Exact Mass257.01
IUPAC Name6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol
SMILESOCc1c(O)cnc(CCl)c1OC(F)(F)F
InChIInChI=1S/C8H7ClF3NO3/c9-1-5-7(16-8(10,11)12)4(3-14)6(15)2-13-5/h2,14-15H,1,3H2
InChIKeyXOYQMFVWTFBULS-UHFFFAOYSA-N
XLogP1.92
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.59
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol
CID 118838341
[2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118855287
2-[2-(fluoromethyl)-5-hydroxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134681335
[5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680899
2-[4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134660623
[2-(bromomethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118843706
methyl 2-[2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134668336
ethyl 4-(chloromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680721
4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine
CID 130089786
2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134671232
[3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130113245
5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol
CID 134677273

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol (CID 130112453) is 6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol is OCc1c(O)cnc(CCl)c1OC(F)(F)F.
What is the InChIKey of 6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is XOYQMFVWTFBULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO3/c9-1-5-7(16-8(10,11)12)4(3-14)6(15)2-13-5/h2,14-15H,1,3H2.
What are the key properties of 6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol?
6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 257.59 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 130112453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).