2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol

C13H13ClFNO — CID 82088313

IUPAC2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol
SMILESCc1ccc(-c2c(F)cccc2Cl)n1CCO
InChIInChI=1S/C13H13ClFNO/c1-9-5-6-12(16(9)7-8-17)13-10(14)3-2-4-11(13)15/h2-6,17H,7-8H2,1H3
InChIKeyZIQVMBRNEZDNFV-UHFFFAOYSA-N
MW253.70 g/mol
LogP3.25
Rot. Bonds3

About 2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol

2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol (PubChem CID 82088313) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol
PubChem CID82088313
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol
SMILESCc1ccc(-c2c(F)cccc2Cl)n1CCO
InChIInChI=1S/C13H13ClFNO/c1-9-5-6-12(16(9)7-8-17)13-10(14)3-2-4-11(13)15/h2-6,17H,7-8H2,1H3
InChIKeyZIQVMBRNEZDNFV-UHFFFAOYSA-N
XLogP3.25
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]ethanol
CID 82560649
5-(2-chloro-6-fluorophenyl)-1-methylpyrazole
CID 175129840
5-[(2-chloro-6-fluorophenyl)methyl]-4-(2-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one
CID 167496199
1-chloro-3-fluoro-2-(4-fluorophenyl)benzene
CID 57094846
2-(2-chloro-6-fluorophenyl)-1-methylimidazole
CID 82077992
1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene
CID 103587069
[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]methyl acetate
CID 142640449
1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole
CID 43510646
2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one
CID 117263425
5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione
CID 117262049
3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine
CID 82119975
3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol
CID 82471989

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol?
The IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol (CID 82088313) is 2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol?
The canonical SMILES for 2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol is Cc1ccc(-c2c(F)cccc2Cl)n1CCO.
What is the InChIKey of 2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol?
The InChIKey is ZIQVMBRNEZDNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO/c1-9-5-6-12(16(9)7-8-17)13-10(14)3-2-4-11(13)15/h2-6,17H,7-8H2,1H3.
What are the key properties of 2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol?
2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol has a molecular weight of 253.70 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol is sourced from PubChem (CID 82088313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).