4-chloro-1H-pyrrole-2-carboxylic acid

C5H4ClNO2 — CID 7130842

IUPAC4-chloro-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c[nH]1
InChIInChI=1S/C5H4ClNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)
InChIKeyYOTWVAYGATYZPA-UHFFFAOYSA-N
MW145.54 g/mol
LogP1.37
Rot. Bonds1

About 4-chloro-1H-pyrrole-2-carboxylic acid

4-chloro-1H-pyrrole-2-carboxylic acid (PubChem CID 7130842) has the molecular formula C5H4ClNO2 and a molecular weight of 145.54 g/mol. Its IUPAC name is 4-chloro-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1H-pyrrole-2-carboxylic acid
PubChem CID7130842
Molecular FormulaC5H4ClNO2
Molecular Weight145.54 g/mol
Exact Mass144.99
IUPAC Name4-chloro-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c[nH]1
InChIInChI=1S/C5H4ClNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)
InChIKeyYOTWVAYGATYZPA-UHFFFAOYSA-N
XLogP1.37
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.54
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid
CID 83536330
CID 89332514
CID 89332514
4-arsanyl-1H-pyrrole-2-carboxylic acid
CID 173183216
propan-2-yl 4-chloro-1H-pyrrole-2-carboxylate
CID 112723005
(3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 62068437
5-chloro-2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 145411084
4-(3-bromo-5-chlorobenzoyl)-1H-pyrrole-2-carboxylic acid
CID 107949739
2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62819682
2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4,5-difluorobenzoic acid
CID 62867657
(4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone
CID 65417892
3-[(4-chloro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 28741856
(2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 28741107

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-chloro-1H-pyrrole-2-carboxylic acid (CID 7130842) is 4-chloro-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-chloro-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-chloro-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-1H-pyrrole-2-carboxylic acid?
The InChIKey is YOTWVAYGATYZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9).
What are the key properties of 4-chloro-1H-pyrrole-2-carboxylic acid?
4-chloro-1H-pyrrole-2-carboxylic acid has a molecular weight of 145.54 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 7130842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).