4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid

C11H8ClNO3S — CID 103400367

IUPAC4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
SMILESCc1csc(C(=O)c2c[nH]c(C(=O)O)c2)c1Cl
InChIInChI=1S/C11H8ClNO3S/c1-5-4-17-10(8(5)12)9(14)6-2-7(11(15)16)13-3-6/h2-4,13H,1H3,(H,15,16)
InChIKeyAVZBSJALWZAEHQ-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.97
Rot. Bonds3

About 4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid

4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 103400367) has the molecular formula C11H8ClNO3S and a molecular weight of 269.71 g/mol. Its IUPAC name is 4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
PubChem CID103400367
Molecular FormulaC11H8ClNO3S
Molecular Weight269.71 g/mol
Exact Mass268.99
IUPAC Name4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
SMILESCc1csc(C(=O)c2c[nH]c(C(=O)O)c2)c1Cl
InChIInChI=1S/C11H8ClNO3S/c1-5-4-17-10(8(5)12)9(14)6-2-7(11(15)16)13-3-6/h2-4,13H,1H3,(H,15,16)
InChIKeyAVZBSJALWZAEHQ-UHFFFAOYSA-N
XLogP2.97
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone
CID 103407438
4-(2,4,6-trimethylbenzoyl)-1H-pyrrole-2-carboxylic acid
CID 43340298
5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 103400340
(3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone
CID 103407440
4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid
CID 43340300
4-benzoyl-1H-pyrrole-2-carboxylic acid
CID 2763446
4-(3-bromo-5-chlorobenzoyl)-1H-pyrrole-2-carboxylic acid
CID 107949739
4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid
CID 2764444
(3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 103400398
(3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone
CID 103408011
6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 103400467
1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one
CID 103407395

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid (CID 103400367) is 4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid is Cc1csc(C(=O)c2c[nH]c(C(=O)O)c2)c1Cl.
What is the InChIKey of 4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is AVZBSJALWZAEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3S/c1-5-4-17-10(8(5)12)9(14)6-2-7(11(15)16)13-3-6/h2-4,13H,1H3,(H,15,16).
What are the key properties of 4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid?
4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 269.71 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 103400367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).