3-[(2-formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid

C12H10N2O4S — CID 149194247

IUPAC3-[(2-formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid
SMILESO=CNc1cc(COc2ccsc2C(=O)O)ccn1
InChIInChI=1S/C12H10N2O4S/c15-7-14-10-5-8(1-3-13-10)6-18-9-2-4-19-11(9)12(16)17/h1-5,7H,6H2,(H,16,17)(H,13,14,15)
InChIKeyXDKYOOTYLMQCLP-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.99
Rot. Bonds6

About 3-[(2-formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid

3-[(2-formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid (PubChem CID 149194247) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-[(2-formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid
PubChem CID149194247
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name3-[(2-formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid
SMILESO=CNc1cc(COc2ccsc2C(=O)O)ccn1
InChIInChI=1S/C12H10N2O4S/c15-7-14-10-5-8(1-3-13-10)6-18-9-2-4-19-11(9)12(16)17/h1-5,7H,6H2,(H,16,17)(H,13,14,15)
InChIKeyXDKYOOTYLMQCLP-UHFFFAOYSA-N
XLogP1.99
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid (CID 149194247) is 3-[(2-formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid is O=CNc1cc(COc2ccsc2C(=O)O)ccn1.
What is the InChIKey of 3-[(2-formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is XDKYOOTYLMQCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c15-7-14-10-5-8(1-3-13-10)6-18-9-2-4-19-11(9)12(16)17/h1-5,7H,6H2,(H,16,17)(H,13,14,15).
What are the key properties of 3-[(2-formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid?
3-[(2-formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 278.29 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 149194247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).