4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid

C10H5Br2NO3S — CID 80536271

IUPAC4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)c2cc(Br)c(Br)s2)c[nH]1
InChIInChI=1S/C10H5Br2NO3S/c11-5-2-7(17-9(5)12)8(14)4-1-6(10(15)16)13-3-4/h1-3,13H,(H,15,16)
InChIKeyNLSMJMOBNZXVNI-UHFFFAOYSA-N
MW379.03 g/mol
LogP3.53
Rot. Bonds3

About 4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid

4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 80536271) has the molecular formula C10H5Br2NO3S and a molecular weight of 379.03 g/mol. Its IUPAC name is 4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
PubChem CID80536271
Molecular FormulaC10H5Br2NO3S
Molecular Weight379.03 g/mol
Exact Mass376.84
IUPAC Name4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)c2cc(Br)c(Br)s2)c[nH]1
InChIInChI=1S/C10H5Br2NO3S/c11-5-2-7(17-9(5)12)8(14)4-1-6(10(15)16)13-3-4/h1-3,13H,(H,15,16)
InChIKeyNLSMJMOBNZXVNI-UHFFFAOYSA-N
XLogP3.53
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.03
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 61406648
4-benzoyl-1H-pyrrole-2-carboxylic acid
CID 2763446
4-(3-bromobenzoyl)-1H-pyrrole-2-carboxylic acid
CID 18526081
4-(2,4,6-trimethylbenzoyl)-1H-pyrrole-2-carboxylic acid
CID 43340298
4-(3-bromo-5-chlorobenzoyl)-1H-pyrrole-2-carboxylic acid
CID 107949739
(4,5-dibromothiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 80532450
4,5-dibromothiophene-2-carbonyl bromide
CID 15753564
(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone
CID 80536800
4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 115353710
(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81155980
(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 80532389
(4,5-dibromothiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 80532521

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid (CID 80536271) is 4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(C(=O)c2cc(Br)c(Br)s2)c[nH]1.
What is the InChIKey of 4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is NLSMJMOBNZXVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2NO3S/c11-5-2-7(17-9(5)12)8(14)4-1-6(10(15)16)13-3-4/h1-3,13H,(H,15,16).
What are the key properties of 4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid?
4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 379.03 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 80536271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).