5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid

C11H10N2O3S — CID 62267988

IUPAC5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid
SMILESNc1ccc(SCc2cc(C(=O)O)co2)cn1
InChIInChI=1S/C11H10N2O3S/c12-10-2-1-9(4-13-10)17-6-8-3-7(5-16-8)11(14)15/h1-5H,6H2,(H2,12,13)(H,14,15)
InChIKeyMAUWAGSTBYYWTM-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.25
Rot. Bonds4

About 5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid

5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid (PubChem CID 62267988) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid
PubChem CID62267988
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid
SMILESNc1ccc(SCc2cc(C(=O)O)co2)cn1
InChIInChI=1S/C11H10N2O3S/c12-10-2-1-9(4-13-10)17-6-8-3-7(5-16-8)11(14)15/h1-5H,6H2,(H2,12,13)(H,14,15)
InChIKeyMAUWAGSTBYYWTM-UHFFFAOYSA-N
XLogP2.25
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carboxylic acid
CID 43417356
2-[[5-(Trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carboxylic acid
CID 43417357
5-[[5-(Trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carboxylic acid
CID 62267810
4-[(5-Fluoro-2-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 65482041
Methyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carboxylate
CID 133793940
3-[(2-Acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid
CID 59152500
3-[(2-Formamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid
CID 149194247
2-[(3-Methoxycarbonylfuran-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 24250521
5-(Furan-2-ylmethylsulfanyl)pyridin-2-amine
CID 28979198
2,5-Dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid
CID 43137818
Methyl 5-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carboxylate
CID 43299687
Methyl 2-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carboxylate
CID 43299766

Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid (CID 62267988) is 5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid is Nc1ccc(SCc2cc(C(=O)O)co2)cn1.
What is the InChIKey of 5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid?
The InChIKey is MAUWAGSTBYYWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c12-10-2-1-9(4-13-10)17-6-8-3-7(5-16-8)11(14)15/h1-5H,6H2,(H2,12,13)(H,14,15).
What are the key properties of 5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid?
5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid is sourced from PubChem (CID 62267988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).