[4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol

C7H5BrF3NO — CID 118822869

IUPAC[4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1nccc(Br)c1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c8-4-1-2-12-5(3-13)6(4)7(9,10)11/h1-2,13H,3H2
InChIKeyRIPVBNMBFNWCBD-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.36
Rot. Bonds1

About [4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol

[4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 118822869) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is [4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID118822869
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name[4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1nccc(Br)c1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c8-4-1-2-12-5(3-13)6(4)7(9,10)11/h1-2,13H,3H2
InChIKeyRIPVBNMBFNWCBD-UHFFFAOYSA-N
XLogP2.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-3-(trifluoromethyl)pyridine
CID 56604237
4-bromo-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118817041
[5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130070839
3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine
CID 130951517
(3-bromo-4-methoxy-2-pyridinyl)methanol
CID 14402959
1,3-dibromo-2-(trifluoromethyl)benzene
CID 56604724
[2,4-bis(trifluoromethyl)-3-pyridinyl]methanol
CID 131282988
[2-amino-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 118704003
2-bromo-4-fluoro-3-(trifluoromethyl)pyridine
CID 118704096
[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
CID 11229760
2-bromo-3-(trifluoromethyl)pyridin-4-amine
CID 118846163
(4-chloro-3-fluoro-2-pyridinyl)methanol
CID 19791242

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol (CID 118822869) is [4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol is OCc1nccc(Br)c1C(F)(F)F.
What is the InChIKey of [4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is RIPVBNMBFNWCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-4-1-2-12-5(3-13)6(4)7(9,10)11/h1-2,13H,3H2.
What are the key properties of [4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol?
[4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 256.02 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 118822869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).