(2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine

C9H6Cl2N2O3S — CID 43464794

IUPAC(2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine
SMILESNC(c1ccc([N+](=O)[O-])o1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H6Cl2N2O3S/c10-6-3-4(9(11)17-6)8(12)5-1-2-7(16-5)13(14)15/h1-3,8H,12H2
InChIKeyYVRYOSGQRAWFEE-UHFFFAOYSA-N
MW293.13 g/mol
LogP3.60
Rot. Bonds3

About (2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine

(2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine (PubChem CID 43464794) has the molecular formula C9H6Cl2N2O3S and a molecular weight of 293.13 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine
PubChem CID43464794
Molecular FormulaC9H6Cl2N2O3S
Molecular Weight293.13 g/mol
Exact Mass291.95
IUPAC Name(2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine
SMILESNC(c1ccc([N+](=O)[O-])o1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H6Cl2N2O3S/c10-6-3-4(9(11)17-6)8(12)5-1-2-7(16-5)13(14)15/h1-3,8H,12H2
InChIKeyYVRYOSGQRAWFEE-UHFFFAOYSA-N
XLogP3.60
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.13
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine (CID 43464794) is (2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine is NC(c1ccc([N+](=O)[O-])o1)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine?
The InChIKey is YVRYOSGQRAWFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O3S/c10-6-3-4(9(11)17-6)8(12)5-1-2-7(16-5)13(14)15/h1-3,8H,12H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine?
(2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine has a molecular weight of 293.13 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine is sourced from PubChem (CID 43464794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).