6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid

C13H14N2O2S — CID 62238868

IUPAC6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(C(C)Nc2cccc(C(=O)O)n2)s1
InChIInChI=1S/C13H14N2O2S/c1-8-6-7-11(18-8)9(2)14-12-5-3-4-10(15-12)13(16)17/h3-7,9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyWDPPFCWWHQJUGQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.32
Rot. Bonds4

About 6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid

6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 62238868) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
PubChem CID62238868
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(C(C)Nc2cccc(C(=O)O)n2)s1
InChIInChI=1S/C13H14N2O2S/c1-8-6-7-11(18-8)9(2)14-12-5-3-4-10(15-12)13(16)17/h3-7,9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyWDPPFCWWHQJUGQ-UHFFFAOYSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid (CID 62238868) is 6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid is Cc1ccc(C(C)Nc2cccc(C(=O)O)n2)s1.
What is the InChIKey of 6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is WDPPFCWWHQJUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-6-7-11(18-8)9(2)14-12-5-3-4-10(15-12)13(16)17/h3-7,9H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid?
6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 62238868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).