5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid

C12H11BrN2O2S — CID 62000750

IUPAC5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid
SMILESCC(Nc1ncc(Br)cc1C(=O)O)c1cccs1
InChIInChI=1S/C12H11BrN2O2S/c1-7(10-3-2-4-18-10)15-11-9(12(16)17)5-8(13)6-14-11/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyYUXKTOURQJFATO-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.78
Rot. Bonds4

About 5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid

5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid (PubChem CID 62000750) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is 5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid
PubChem CID62000750
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid
SMILESCC(Nc1ncc(Br)cc1C(=O)O)c1cccs1
InChIInChI=1S/C12H11BrN2O2S/c1-7(10-3-2-4-18-10)15-11-9(12(16)17)5-8(13)6-14-11/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyYUXKTOURQJFATO-UHFFFAOYSA-N
XLogP3.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
CID 61227691
5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 62169182
2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62710458
5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid
CID 63539534
methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate
CID 60721902
3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 116783435
2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid
CID 43737318
5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62148004
2-bromo-5-(1-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 115296717
5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid
CID 62000794
5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63537700
5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid (CID 62000750) is 5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid is CC(Nc1ncc(Br)cc1C(=O)O)c1cccs1.
What is the InChIKey of 5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid?
The InChIKey is YUXKTOURQJFATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-7(10-3-2-4-18-10)15-11-9(12(16)17)5-8(13)6-14-11/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid?
5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid has a molecular weight of 327.20 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 62000750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).