2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran

C9H5Cl2NO3S — CID 61084993

IUPAC2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(C(Cl)c2ccc(Cl)s2)o1
InChIInChI=1S/C9H5Cl2NO3S/c10-7-3-2-6(16-7)9(11)5-1-4-8(15-5)12(13)14/h1-4,9H
InChIKeyGIZSPCZYXZNRCE-UHFFFAOYSA-N
MW278.12 g/mol
LogP4.23
Rot. Bonds3

About 2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran

2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran (PubChem CID 61084993) has the molecular formula C9H5Cl2NO3S and a molecular weight of 278.12 g/mol. Its IUPAC name is 2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran.

Molecular Properties

Compound Name2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran
PubChem CID61084993
Molecular FormulaC9H5Cl2NO3S
Molecular Weight278.12 g/mol
Exact Mass276.94
IUPAC Name2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(C(Cl)c2ccc(Cl)s2)o1
InChIInChI=1S/C9H5Cl2NO3S/c10-7-3-2-6(16-7)9(11)5-1-4-8(15-5)12(13)14/h1-4,9H
InChIKeyGIZSPCZYXZNRCE-UHFFFAOYSA-N
XLogP4.23
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)-(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43496935
2-[chloro-(4-propan-2-ylphenyl)methyl]-5-nitrofuran
CID 61084466
2-[chloro-(2,4,6-trimethylphenyl)methyl]-5-nitrofuran
CID 61085395
(2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine
CID 43464794
2-[chloro-(4-ethylphenyl)methyl]-5-nitrofuran
CID 61086008
2-[(4-butan-2-ylphenyl)-chloromethyl]-5-nitrofuran
CID 63430077
2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-nitrofuran
CID 79591169
2-chloro-5-[1-chloro-2-(4-nitrophenyl)ethyl]thiophene
CID 55149737
N-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine
CID 43488090
2-[bromo-(2-chloro-4,5-dimethylphenyl)methyl]-5-nitrofuran
CID 115484840
2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-5-nitrofuran
CID 61084065
2-(1-methoxyethyl)-5-nitrofuran
CID 145237926

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran?
The IUPAC name of 2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran (CID 61084993) is 2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran.
What is the SMILES notation for 2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran?
The canonical SMILES for 2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran is O=[N+]([O-])c1ccc(C(Cl)c2ccc(Cl)s2)o1.
What is the InChIKey of 2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran?
The InChIKey is GIZSPCZYXZNRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO3S/c10-7-3-2-6(16-7)9(11)5-1-4-8(15-5)12(13)14/h1-4,9H.
What are the key properties of 2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran?
2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran has a molecular weight of 278.12 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran is sourced from PubChem (CID 61084993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).