2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid

C9H6ClNO3 — CID 96613437

IUPAC2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)c1cc[nH]c1-c1occc1Cl
InChIInChI=1S/C9H6ClNO3/c10-6-2-4-14-8(6)7-5(9(12)13)1-3-11-7/h1-4,11H,(H,12,13)
InChIKeyYDPVPGFKMRJJRB-UHFFFAOYSA-N
MW211.60 g/mol
LogP2.63
Rot. Bonds2

About 2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid

2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid (PubChem CID 96613437) has the molecular formula C9H6ClNO3 and a molecular weight of 211.60 g/mol. Its IUPAC name is 2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid
PubChem CID96613437
Molecular FormulaC9H6ClNO3
Molecular Weight211.60 g/mol
Exact Mass211.00
IUPAC Name2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)c1cc[nH]c1-c1occc1Cl
InChIInChI=1S/C9H6ClNO3/c10-6-2-4-14-8(6)7-5(9(12)13)1-3-11-7/h1-4,11H,(H,12,13)
InChIKeyYDPVPGFKMRJJRB-UHFFFAOYSA-N
XLogP2.63
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid (CID 96613437) is 2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid is O=C(O)c1cc[nH]c1-c1occc1Cl.
What is the InChIKey of 2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is YDPVPGFKMRJJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3/c10-6-2-4-14-8(6)7-5(9(12)13)1-3-11-7/h1-4,11H,(H,12,13).
What are the key properties of 2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid?
2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 211.60 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 96613437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).