1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,5-dihydropyrrol-2-ol

C11H10ClF3N2O — CID 146216259

IUPAC1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,5-dihydropyrrol-2-ol
SMILESCC1=CCN(c2cc(C(F)(F)F)c(Cl)cn2)C1O
InChIInChI=1S/C11H10ClF3N2O/c1-6-2-3-17(10(6)18)9-4-7(11(13,14)15)8(12)5-16-9/h2,4-5,10,18H,3H2,1H3
InChIKeyRLFVUPVWDYBQSS-UHFFFAOYSA-N
MW278.66 g/mol
LogP2.84
Rot. Bonds1

About 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,5-dihydropyrrol-2-ol

1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,5-dihydropyrrol-2-ol (PubChem CID 146216259) has the molecular formula C11H10ClF3N2O and a molecular weight of 278.66 g/mol. Its IUPAC name is 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,5-dihydropyrrol-2-ol.

Molecular Properties

Compound Name1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,5-dihydropyrrol-2-ol
PubChem CID146216259
Molecular FormulaC11H10ClF3N2O
Molecular Weight278.66 g/mol
Exact Mass278.04
IUPAC Name1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,5-dihydropyrrol-2-ol
SMILESCC1=CCN(c2cc(C(F)(F)F)c(Cl)cn2)C1O
InChIInChI=1S/C11H10ClF3N2O/c1-6-2-3-17(10(6)18)9-4-7(11(13,14)15)8(12)5-16-9/h2,4-5,10,18H,3H2,1H3
InChIKeyRLFVUPVWDYBQSS-UHFFFAOYSA-N
XLogP2.84
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,5-dihydropyrrol-2-ol?
The IUPAC name of 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,5-dihydropyrrol-2-ol (CID 146216259) is 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,5-dihydropyrrol-2-ol.
What is the SMILES notation for 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,5-dihydropyrrol-2-ol?
The canonical SMILES for 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,5-dihydropyrrol-2-ol is CC1=CCN(c2cc(C(F)(F)F)c(Cl)cn2)C1O.
What is the InChIKey of 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,5-dihydropyrrol-2-ol?
The InChIKey is RLFVUPVWDYBQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O/c1-6-2-3-17(10(6)18)9-4-7(11(13,14)15)8(12)5-16-9/h2,4-5,10,18H,3H2,1H3.
What are the key properties of 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,5-dihydropyrrol-2-ol?
1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,5-dihydropyrrol-2-ol has a molecular weight of 278.66 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,5-dihydropyrrol-2-ol is sourced from PubChem (CID 146216259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).