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

C12H10ClF3N2O — CID 3829196

IUPAC1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanol
SMILESCC(O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H10ClF3N2O/c1-7(19)10-3-2-4-18(10)11-9(13)5-8(6-17-11)12(14,15)16/h2-7,19H,1H3
InChIKeyGBSZHPXEZROSRP-UHFFFAOYSA-N
MW290.67 g/mol
LogP3.60
Rot. Bonds2

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

1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanol (PubChem CID 3829196) has the molecular formula C12H10ClF3N2O and a molecular weight of 290.67 g/mol. Its IUPAC name is 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanol
PubChem CID3829196
Molecular FormulaC12H10ClF3N2O
Molecular Weight290.67 g/mol
Exact Mass290.04
IUPAC Name1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanol
SMILESCC(O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H10ClF3N2O/c1-7(19)10-3-2-4-18(10)11-9(13)5-8(6-17-11)12(14,15)16/h2-7,19H,1H3
InChIKeyGBSZHPXEZROSRP-UHFFFAOYSA-N
XLogP3.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.67
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanol?
The IUPAC name of 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanol (CID 3829196) is 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanol?
The canonical SMILES for 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanol is CC(O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanol?
The InChIKey is GBSZHPXEZROSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O/c1-7(19)10-3-2-4-18(10)11-9(13)5-8(6-17-11)12(14,15)16/h2-7,19H,1H3.
What are the key properties of 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanol?
1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanol has a molecular weight of 290.67 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanol is sourced from PubChem (CID 3829196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).