4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid

C15H14BrNO2 — CID 114604990

IUPAC4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Br)cn1C1CCc2ccccc2C1
InChIInChI=1S/C15H14BrNO2/c16-12-8-14(15(18)19)17(9-12)13-6-5-10-3-1-2-4-11(10)7-13/h1-4,8-9,13H,5-7H2,(H,18,19)
InChIKeyHFZKMWRNTRLLSE-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.68
Rot. Bonds2

About 4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid

4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid (PubChem CID 114604990) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid
PubChem CID114604990
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Br)cn1C1CCc2ccccc2C1
InChIInChI=1S/C15H14BrNO2/c16-12-8-14(15(18)19)17(9-12)13-6-5-10-3-1-2-4-11(10)7-13/h1-4,8-9,13H,5-7H2,(H,18,19)
InChIKeyHFZKMWRNTRLLSE-UHFFFAOYSA-N
XLogP3.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 43641097
4-bromo-1-(1,2-dimethylpiperidin-4-yl)pyrrole-2-carboxylic acid
CID 114606269
(4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 60956009
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]acetic acid
CID 56701450
2-[2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid
CID 54037813
1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone
CID 160786789
3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid
CID 65059978
5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid
CID 123640108
4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
CID 168687046
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid
CID 130275617
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43640610
(2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264683

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid?
The IUPAC name of 4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid (CID 114604990) is 4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid?
The canonical SMILES for 4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid is O=C(O)c1cc(Br)cn1C1CCc2ccccc2C1.
What is the InChIKey of 4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid?
The InChIKey is HFZKMWRNTRLLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-12-8-14(15(18)19)17(9-12)13-6-5-10-3-1-2-4-11(10)7-13/h1-4,8-9,13H,5-7H2,(H,18,19).
What are the key properties of 4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid?
4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid has a molecular weight of 320.19 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 114604990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).