dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol

C11H10FNO — CID 153316735

IUPACdideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol
SMILES[2H]C([2H])(O)c1c[nH]c(-c2ccccc2F)c1
InChIInChI=1S/C11H10FNO/c12-10-4-2-1-3-9(10)11-5-8(7-14)6-13-11/h1-6,13-14H,7H2/i7D2
InChIKeyKTNZABADLXDWLM-RJSZUWSASA-N
MW193.22 g/mol
LogP2.31
Rot. Bonds2

About dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol

dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol (PubChem CID 153316735) has the molecular formula C11H10FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol.

Molecular Properties

Compound Namedideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol
PubChem CID153316735
Molecular FormulaC11H10FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Namedideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol
SMILES[2H]C([2H])(O)c1c[nH]c(-c2ccccc2F)c1
InChIInChI=1S/C11H10FNO/c12-10-4-2-1-3-9(10)11-5-8(7-14)6-13-11/h1-6,13-14H,7H2/i7D2
InChIKeyKTNZABADLXDWLM-RJSZUWSASA-N
XLogP2.31
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-(2-fluorophenyl)-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 131870022
[3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol
CID 170919018
4,5-difluoro-2-(2-fluorophenyl)phenol
CID 46312140
2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one
CID 167906301
1,4-bis(2-fluorophenyl)benzene
CID 58121760
1-fluoro-2-[2-(2-phenylphenyl)phenyl]benzene
CID 141475621
[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]methanol
CID 131870314
[3-fluoro-2-(2-fluorophenyl)phenyl]methanol
CID 46312388
[3-(2-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 131870563
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408
3-(2-fluorophenyl)-1H-pyrrol-2-amine
CID 117222627
5-chloro-2-(2-fluorophenyl)phenol
CID 46314337

Frequently Asked Questions

What is the IUPAC name of dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol?
The IUPAC name of dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol (CID 153316735) is dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol.
What is the SMILES notation for dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol?
The canonical SMILES for dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol is [2H]C([2H])(O)c1c[nH]c(-c2ccccc2F)c1.
What is the InChIKey of dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol?
The InChIKey is KTNZABADLXDWLM-RJSZUWSASA-N. The full InChI is InChI=1S/C11H10FNO/c12-10-4-2-1-3-9(10)11-5-8(7-14)6-13-11/h1-6,13-14H,7H2/i7D2.
What are the key properties of dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol?
dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol has a molecular weight of 193.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol is sourced from PubChem (CID 153316735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).