methyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate

C11H8N2O4S — CID 58657120

IUPACmethyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cn2)s1
InChIInChI=1S/C11H8N2O4S/c1-17-11(14)10-5-4-9(18-10)8-3-2-7(6-12-8)13(15)16/h2-6H,1H3
InChIKeyFQIHCMVVTPWINL-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.50
Rot. Bonds3

About methyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate

methyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate (PubChem CID 58657120) has the molecular formula C11H8N2O4S and a molecular weight of 264.26 g/mol. Its IUPAC name is methyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate
PubChem CID58657120
Molecular FormulaC11H8N2O4S
Molecular Weight264.26 g/mol
Exact Mass264.02
IUPAC Namemethyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cn2)s1
InChIInChI=1S/C11H8N2O4S/c1-17-11(14)10-5-4-9(18-10)8-3-2-7(6-12-8)13(15)16/h2-6H,1H3
InChIKeyFQIHCMVVTPWINL-UHFFFAOYSA-N
XLogP2.50
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 4072395
methyl 5-[5-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate
CID 174490532
methyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate
CID 69163144
methyl 5-(6-chloropyrimidin-4-yl)thiophene-2-carboxylate
CID 150682087
2-(1-benzothiophen-2-yl)-5-nitropyridine
CID 142834832
ethyl 4-methyl-3-(5-nitro-2-pyridinyl)benzoate
CID 66552353
methane;5-nitropyridin-2-amine
CID 174857781
5-(5-amino-2-pyridinyl)thiophene-2-carboxylic acid
CID 58657308
N-methoxy-N-methyl-5-nitropyridine-2-carboxamide
CID 169122058
methyl 2-tert-butyl-5-nitrobenzoate
CID 20815738
methyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate
CID 75494890
methyl 5-nitro-2-pyridin-3-ylbenzoate
CID 46317465

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate (CID 58657120) is methyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate is COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cn2)s1.
What is the InChIKey of methyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate?
The InChIKey is FQIHCMVVTPWINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4S/c1-17-11(14)10-5-4-9(18-10)8-3-2-7(6-12-8)13(15)16/h2-6H,1H3.
What are the key properties of methyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate?
methyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate has a molecular weight of 264.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate is sourced from PubChem (CID 58657120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).