3-(3-chloro-2-nitrophenyl)-1H-pyrrole

C10H7ClN2O2 — CID 11436010

IUPAC3-(3-chloro-2-nitrophenyl)-1H-pyrrole
SMILESO=[N+]([O-])c1c(Cl)cccc1-c1cc[nH]c1
InChIInChI=1S/C10H7ClN2O2/c11-9-3-1-2-8(10(9)13(14)15)7-4-5-12-6-7/h1-6,12H
InChIKeyOBKWPKBVLIZOQG-UHFFFAOYSA-N
MW222.63 g/mol
LogP3.24
Rot. Bonds2

About 3-(3-chloro-2-nitrophenyl)-1H-pyrrole

3-(3-chloro-2-nitrophenyl)-1H-pyrrole (PubChem CID 11436010) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 3-(3-chloro-2-nitrophenyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(3-chloro-2-nitrophenyl)-1H-pyrrole
PubChem CID11436010
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name3-(3-chloro-2-nitrophenyl)-1H-pyrrole
SMILESO=[N+]([O-])c1c(Cl)cccc1-c1cc[nH]c1
InChIInChI=1S/C10H7ClN2O2/c11-9-3-1-2-8(10(9)13(14)15)7-4-5-12-6-7/h1-6,12H
InChIKeyOBKWPKBVLIZOQG-UHFFFAOYSA-N
XLogP3.24
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-chloro-2-nitrophenyl)-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-chloro-2-nitrophenyl)phenol
CID 71044316
3-(3-chloro-2-nitrophenyl)phenol
CID 20816503
3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide
CID 173034791
1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene
CID 67429755
5-amino-4-oxopentanoic acid;3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole
CID 22149640
3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;3-oxohexanedial
CID 18538324
3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;(E)-6-oxohept-3-enedioic acid
CID 173187537
4-(3-chloro-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 154182587
3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;2,3,4,5-tetrahydropyridine-2-carboxylic acid
CID 173034759
(3-chloro-2-nitrophenyl)methanamine;hydrochloride
CID 155970925
1-(2-bromoethyl)-3-chloro-2-nitrobenzene
CID 151932665
3-naphthalen-1-yl-1H-pyrrole
CID 19602051

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-nitrophenyl)-1H-pyrrole?
The IUPAC name of 3-(3-chloro-2-nitrophenyl)-1H-pyrrole (CID 11436010) is 3-(3-chloro-2-nitrophenyl)-1H-pyrrole.
What is the SMILES notation for 3-(3-chloro-2-nitrophenyl)-1H-pyrrole?
The canonical SMILES for 3-(3-chloro-2-nitrophenyl)-1H-pyrrole is O=[N+]([O-])c1c(Cl)cccc1-c1cc[nH]c1.
What is the InChIKey of 3-(3-chloro-2-nitrophenyl)-1H-pyrrole?
The InChIKey is OBKWPKBVLIZOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-9-3-1-2-8(10(9)13(14)15)7-4-5-12-6-7/h1-6,12H.
What are the key properties of 3-(3-chloro-2-nitrophenyl)-1H-pyrrole?
3-(3-chloro-2-nitrophenyl)-1H-pyrrole has a molecular weight of 222.63 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-nitrophenyl)-1H-pyrrole is sourced from PubChem (CID 11436010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).