3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid

C15H12N2O2S — CID 139651753

IUPAC3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
SMILESNCc1ccc(-c2c(C(=O)O)sc3ncccc23)cc1
InChIInChI=1S/C15H12N2O2S/c16-8-9-3-5-10(6-4-9)12-11-2-1-7-17-14(11)20-13(12)15(18)19/h1-7H,8,16H2,(H,18,19)
InChIKeyRPKIUZUXOWXOOG-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.12
Rot. Bonds3

About 3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid

3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 139651753) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID139651753
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
SMILESNCc1ccc(-c2c(C(=O)O)sc3ncccc23)cc1
InChIInChI=1S/C15H12N2O2S/c16-8-9-3-5-10(6-4-9)12-11-2-1-7-17-14(11)20-13(12)15(18)19/h1-7H,8,16H2,(H,18,19)
InChIKeyRPKIUZUXOWXOOG-UHFFFAOYSA-N
XLogP3.12
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 69075091
3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651716
3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 139653334
ethyl 3-oxo-3-(3-phenylthieno[2,3-b]pyridin-2-yl)propanoate
CID 23585316
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 139653269
3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 139653312
(E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one
CID 58026323
3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
CID 11344821
3-[4-[3-(dimethylamino)propoxy]-3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651760
N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 58026319
(E)-3-(4-methylphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one
CID 58026327
1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one
CID 58026326

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid (CID 139651753) is 3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid is NCc1ccc(-c2c(C(=O)O)sc3ncccc23)cc1.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is RPKIUZUXOWXOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c16-8-9-3-5-10(6-4-9)12-11-2-1-7-17-14(11)20-13(12)15(18)19/h1-7H,8,16H2,(H,18,19).
What are the key properties of 3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid?
3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 139651753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).