3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid

C12H10ClNO3 — CID 104819089

IUPAC3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
SMILESCOc1cccc(Cl)c1-c1cc[nH]c1C(=O)O
InChIInChI=1S/C12H10ClNO3/c1-17-9-4-2-3-8(13)10(9)7-5-6-14-11(7)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeySSUOQMUQUVKZAP-UHFFFAOYSA-N
MW251.67 g/mol
LogP3.04
Rot. Bonds3

About 3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid

3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 104819089) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
PubChem CID104819089
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
SMILESCOc1cccc(Cl)c1-c1cc[nH]c1C(=O)O
InChIInChI=1S/C12H10ClNO3/c1-17-9-4-2-3-8(13)10(9)7-5-6-14-11(7)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeySSUOQMUQUVKZAP-UHFFFAOYSA-N
XLogP3.04
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 79324952
3-(2,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 79324954
3-(2-methoxy-5-methylphenyl)-1H-pyrrole-2-carboxylic acid
CID 82390676
3-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxylic acid
CID 82390669
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene
CID 141041687
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
3-chloro-5-(2-methoxyphenyl)benzoic acid
CID 53225406
3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrole-2-carboxylic acid
CID 146350288
methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate
CID 166162954
1,3-dichloro-2-(2,3-dimethoxyphenyl)benzene
CID 16755069
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
CID 116810858

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid (CID 104819089) is 3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid is COc1cccc(Cl)c1-c1cc[nH]c1C(=O)O.
What is the InChIKey of 3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is SSUOQMUQUVKZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-17-9-4-2-3-8(13)10(9)7-5-6-14-11(7)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid?
3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 251.67 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 104819089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).