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

C11H9ClF3IN2O — CID 141430587

IUPAC4-chloro-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,3-dihydropyrrol-2-ol
SMILESCC1C(Cl)=CN(c2cc(C(F)(F)F)c(I)cn2)C1O
InChIInChI=1S/C11H9ClF3IN2O/c1-5-7(12)4-18(10(5)19)9-2-6(11(13,14)15)8(16)3-17-9/h2-5,10,19H,1H3
InChIKeyHGVOQUMHRUEXOF-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.56
Rot. Bonds1

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

4-chloro-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,3-dihydropyrrol-2-ol (PubChem CID 141430587) has the molecular formula C11H9ClF3IN2O and a molecular weight of 404.56 g/mol. Its IUPAC name is 4-chloro-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,3-dihydropyrrol-2-ol.

Molecular Properties

Compound Name4-chloro-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,3-dihydropyrrol-2-ol
PubChem CID141430587
Molecular FormulaC11H9ClF3IN2O
Molecular Weight404.56 g/mol
Exact Mass403.94
IUPAC Name4-chloro-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,3-dihydropyrrol-2-ol
SMILESCC1C(Cl)=CN(c2cc(C(F)(F)F)c(I)cn2)C1O
InChIInChI=1S/C11H9ClF3IN2O/c1-5-7(12)4-18(10(5)19)9-2-6(11(13,14)15)8(16)3-17-9/h2-5,10,19H,1H3
InChIKeyHGVOQUMHRUEXOF-UHFFFAOYSA-N
XLogP3.56
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,3-dihydropyrrol-2-ol?
The IUPAC name of 4-chloro-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,3-dihydropyrrol-2-ol (CID 141430587) is 4-chloro-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,3-dihydropyrrol-2-ol.
What is the SMILES notation for 4-chloro-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,3-dihydropyrrol-2-ol?
The canonical SMILES for 4-chloro-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,3-dihydropyrrol-2-ol is CC1C(Cl)=CN(c2cc(C(F)(F)F)c(I)cn2)C1O.
What is the InChIKey of 4-chloro-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,3-dihydropyrrol-2-ol?
The InChIKey is HGVOQUMHRUEXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3IN2O/c1-5-7(12)4-18(10(5)19)9-2-6(11(13,14)15)8(16)3-17-9/h2-5,10,19H,1H3.
What are the key properties of 4-chloro-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,3-dihydropyrrol-2-ol?
4-chloro-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,3-dihydropyrrol-2-ol has a molecular weight of 404.56 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,3-dihydropyrrol-2-ol is sourced from PubChem (CID 141430587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).