[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methanol

C11H8ClF3N2O — CID 2763496

IUPAC[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methanol
SMILESOCc1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H8ClF3N2O/c12-9-4-7(11(13,14)15)5-16-10(9)17-3-1-2-8(17)6-18/h1-5,18H,6H2
InChIKeyYTVMBIGZHCGDQS-UHFFFAOYSA-N
MW276.65 g/mol
LogP3.04
Rot. Bonds2

About [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methanol

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methanol (PubChem CID 2763496) has the molecular formula C11H8ClF3N2O and a molecular weight of 276.65 g/mol. Its IUPAC name is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methanol
PubChem CID2763496
Molecular FormulaC11H8ClF3N2O
Molecular Weight276.65 g/mol
Exact Mass276.03
IUPAC Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methanol
SMILESOCc1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H8ClF3N2O/c12-9-4-7(11(13,14)15)5-16-10(9)17-3-1-2-8(17)6-18/h1-5,18H,6H2
InChIKeyYTVMBIGZHCGDQS-UHFFFAOYSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxylic acid
CID 3531599
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbaldehyde oxime
CID 9632447
{5-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methanol
CID 91792063
1-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrol-2-yl}-1-ethanol
CID 3829196
2-(Pyrrolidin-1-yl)-5-(2,2,2-trifluoro-1-hydroxyethyl)-pyridine
CID 67401736
1-[3-Chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
CID 69086442
1-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyrrol-2-yl]ethanol
CID 70973093
(8-Chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl)methanol
CID 82055268
(1-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrrol-2-yl)methanol
CID 90404801
(R)-(2-(3-fluoropyrrolidin-1-yl)pyridin-3-yl)methanol
CID 90407465
[2-(3-Fluoropyrrolidin-1-yl)-3-pyridinyl]methanol
CID 90407466
[1-(3-Chloro-2-pyridinyl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-hydroperoxymethanol
CID 90970895

Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methanol?
The IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methanol (CID 2763496) is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methanol.
What is the SMILES notation for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methanol?
The canonical SMILES for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methanol is OCc1cccn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methanol?
The InChIKey is YTVMBIGZHCGDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O/c12-9-4-7(11(13,14)15)5-16-10(9)17-3-1-2-8(17)6-18/h1-5,18H,6H2.
What are the key properties of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methanol?
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methanol has a molecular weight of 276.65 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methanol is sourced from PubChem (CID 2763496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).