2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid

C8H10ClNO3 — CID 54317016

IUPAC2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid
SMILESO=C(O)Cc1cc(Cl)cn1CCO
InChIInChI=1S/C8H10ClNO3/c9-6-3-7(4-8(12)13)10(5-6)1-2-11/h3,5,11H,1-2,4H2,(H,12,13)
InChIKeySOXUOCPRYINPIH-UHFFFAOYSA-N
MW203.62 g/mol
LogP0.76
Rot. Bonds4

About 2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid

2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid (PubChem CID 54317016) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid
PubChem CID54317016
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid
SMILESO=C(O)Cc1cc(Cl)cn1CCO
InChIInChI=1S/C8H10ClNO3/c9-6-3-7(4-8(12)13)10(5-6)1-2-11/h3,5,11H,1-2,4H2,(H,12,13)
InChIKeySOXUOCPRYINPIH-UHFFFAOYSA-N
XLogP0.76
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid
CID 83945122
2-(4-chloro-2,6-diethylphenyl)acetic acid
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2-[4-bromo-1-(2-hydroxyethyl)pyrazol-3-yl]acetic acid
CID 83900329
3-[(4-chloro-1-propylpyrrole-2-carbonyl)-methylamino]propanoic acid
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2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid
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4-chloro-1-(2-methylsulfanylethyl)pyrrole-2-carboxylic acid
CID 114605520
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid
CID 82244447
4-chloro-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylic acid
CID 114602972
2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid
CID 86149877
4-chloro-1-[3-(dimethylamino)propyl]pyrrole-2-carboxylic acid
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2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid;dihydrate
CID 67900085

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid?
The IUPAC name of 2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid (CID 54317016) is 2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid?
The canonical SMILES for 2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid is O=C(O)Cc1cc(Cl)cn1CCO.
What is the InChIKey of 2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid?
The InChIKey is SOXUOCPRYINPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3/c9-6-3-7(4-8(12)13)10(5-6)1-2-11/h3,5,11H,1-2,4H2,(H,12,13).
What are the key properties of 2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid?
2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid has a molecular weight of 203.62 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid is sourced from PubChem (CID 54317016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).