5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid

C12H11ClN2O2S — CID 70982044

IUPAC5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCc1ncc(Cl)cc1NCc1ccc(C(=O)O)s1
InChIInChI=1S/C12H11ClN2O2S/c1-7-10(4-8(13)5-14-7)15-6-9-2-3-11(18-9)12(16)17/h2-5,15H,6H2,1H3,(H,16,17)
InChIKeyJNWKYGDFHVZHGQ-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.42
Rot. Bonds4

About 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid

5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 70982044) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID70982044
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCc1ncc(Cl)cc1NCc1ccc(C(=O)O)s1
InChIInChI=1S/C12H11ClN2O2S/c1-7-10(4-8(13)5-14-7)15-6-9-2-3-11(18-9)12(16)17/h2-5,15H,6H2,1H3,(H,16,17)
InChIKeyJNWKYGDFHVZHGQ-UHFFFAOYSA-N
XLogP3.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid (CID 70982044) is 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid is Cc1ncc(Cl)cc1NCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is JNWKYGDFHVZHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-7-10(4-8(13)5-14-7)15-6-9-2-3-11(18-9)12(16)17/h2-5,15H,6H2,1H3,(H,16,17).
What are the key properties of 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid?
5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 282.75 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 70982044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).