[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol

C9H9ClF3NO2 — CID 66274832

IUPAC[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol
SMILESCC(Oc1ccc(Cl)c(CO)n1)C(F)(F)F
InChIInChI=1S/C9H9ClF3NO2/c1-5(9(11,12)13)16-8-3-2-6(10)7(4-15)14-8/h2-3,5,15H,4H2,1H3
InChIKeyLLNFZBCFGNJNMD-UHFFFAOYSA-N
MW255.62 g/mol
LogP2.56
Rot. Bonds3

About [3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol

[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol (PubChem CID 66274832) has the molecular formula C9H9ClF3NO2 and a molecular weight of 255.62 g/mol. Its IUPAC name is [3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol
PubChem CID66274832
Molecular FormulaC9H9ClF3NO2
Molecular Weight255.62 g/mol
Exact Mass255.03
IUPAC Name[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol
SMILESCC(Oc1ccc(Cl)c(CO)n1)C(F)(F)F
InChIInChI=1S/C9H9ClF3NO2/c1-5(9(11,12)13)16-8-3-2-6(10)7(4-15)14-8/h2-3,5,15H,4H2,1H3
InChIKeyLLNFZBCFGNJNMD-UHFFFAOYSA-N
XLogP2.56
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.62
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-Methoxypyridin-2-yl)methanol
CID 12325389
2-Chloro-6-isopropoxypyridine
CID 13309095
3-Chloro-6-(propan-2-yloxy)pyridine-2-carboxylic acid
CID 28491284
1-(6-Methoxypyridin-2-yl)ethanol
CID 68951207
[6-(Difluoromethoxy)pyridin-2-yl]methanol
CID 69083466
2-Chloro-6-(pentan-2-yloxy)pyridine
CID 102981572
(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyridin-2-yl)methanol
CID 104564147
3-Chloro-6-ethoxypyridine-2-carboxylic acid
CID 28491142
3-Chloro-6-(propan-2-yloxy)pyridine-2-carbonitrile
CID 47002195
(6-Chloro-3-methoxypyridin-2-yl)methanol
CID 130063887
2-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]-6-methylpyridine
CID 166449996
(Z)-2-(hex-3-en-1-yloxy)-6-(trifluoromethyl)pyridine
CID 168011282

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol (CID 66274832) is [3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol is CC(Oc1ccc(Cl)c(CO)n1)C(F)(F)F.
What is the InChIKey of [3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol?
The InChIKey is LLNFZBCFGNJNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO2/c1-5(9(11,12)13)16-8-3-2-6(10)7(4-15)14-8/h2-3,5,15H,4H2,1H3.
What are the key properties of [3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol?
[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol has a molecular weight of 255.62 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol is sourced from PubChem (CID 66274832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).