3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride

C10H7ClN2O3S — CID 10825954

IUPAC3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride
SMILESO=C(Cl)c1sccc1Cn1cccc1[N+](=O)[O-]
InChIInChI=1S/C10H7ClN2O3S/c11-10(14)9-7(3-5-17-9)6-12-4-1-2-8(12)13(15)16/h1-5H,6H2
InChIKeyDSRIADDAFKOONZ-UHFFFAOYSA-N
MW270.70 g/mol
LogP2.89
Rot. Bonds4

About 3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride

3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride (PubChem CID 10825954) has the molecular formula C10H7ClN2O3S and a molecular weight of 270.70 g/mol. Its IUPAC name is 3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride.

Molecular Properties

Compound Name3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride
PubChem CID10825954
Molecular FormulaC10H7ClN2O3S
Molecular Weight270.70 g/mol
Exact Mass269.99
IUPAC Name3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride
SMILESO=C(Cl)c1sccc1Cn1cccc1[N+](=O)[O-]
InChIInChI=1S/C10H7ClN2O3S/c11-10(14)9-7(3-5-17-9)6-12-4-1-2-8(12)13(15)16/h1-5H,6H2
InChIKeyDSRIADDAFKOONZ-UHFFFAOYSA-N
XLogP2.89
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.70
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_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

methyl 3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carboxylate
CID 10730447
[3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol
CID 10585996
3-[(7-nitroindol-1-yl)methyl]thiophene-2-carboxylic acid
CID 114935559
3-[(5-nitroindol-1-yl)methyl]thiophene-2-carboxylic acid
CID 63640030
3-[(3-nitropyrazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639196
[1-(2-chloroethyl)pyrrol-2-yl]-(3-ethylthiophen-2-yl)methanone
CID 67906545
1-(2-nitropyrrol-1-yl)hexan-2-one
CID 162213602
5-fluoro-1-(2-nitropyrrol-1-yl)pentan-2-one
CID 158724122
3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid
CID 14910436
methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate
CID 14910424
5-(18F)fluoro-5,5-difluoro-1-(2-nitropyrrol-1-yl)pentan-2-one
CID 158724119
1-(2-methoxyethyl)-2-nitropyrrole
CID 174853485

Frequently Asked Questions

What is the IUPAC name of 3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride?
The IUPAC name of 3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride (CID 10825954) is 3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride.
What is the SMILES notation for 3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride?
The canonical SMILES for 3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride is O=C(Cl)c1sccc1Cn1cccc1[N+](=O)[O-].
What is the InChIKey of 3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride?
The InChIKey is DSRIADDAFKOONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3S/c11-10(14)9-7(3-5-17-9)6-12-4-1-2-8(12)13(15)16/h1-5H,6H2.
What are the key properties of 3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride?
3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride has a molecular weight of 270.70 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride is sourced from PubChem (CID 10825954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).