2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid

C10H8ClNO4 — CID 82228548

IUPAC2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H8ClNO4/c11-8-2-1-5(3-9(8)12(15)16)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H,13,14)
InChIKeyFMGNDRLDCYYQTA-UHFFFAOYSA-N
MW241.63 g/mol
LogP2.44
Rot. Bonds3

About 2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid

2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid (PubChem CID 82228548) has the molecular formula C10H8ClNO4 and a molecular weight of 241.63 g/mol. Its IUPAC name is 2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid
PubChem CID82228548
Molecular FormulaC10H8ClNO4
Molecular Weight241.63 g/mol
Exact Mass241.01
IUPAC Name2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H8ClNO4/c11-8-2-1-5(3-9(8)12(15)16)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H,13,14)
InChIKeyFMGNDRLDCYYQTA-UHFFFAOYSA-N
XLogP2.44
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.63
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

trans-(1R,2R)-2-[4-(2-methylpropyl)-3-nitrophenyl]cyclopropane-1-carboxylic acid
CID 154385823
trans-(1S,2S)-N-(4-chloro-3-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 903153
2-[3-(4-chloro-3-nitrophenyl)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 66899005
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
5-[2-(4-chloro-3-nitrophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 167407850
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
cis-(1S,2R)-2-[(4-chloro-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 23013496
trans-(1R,2R)-2-[(4-chloro-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 6545205
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
4-(4-chloro-3-nitrophenyl)-3,6-dimethyl-2-sulfanylidene-4,5-dihydropyrimidine-5-carboxylic acid
CID 57110147
(2R)-2-(4-chloro-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171195947
trans-(1S,2S)-N-(2-chloro-5-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 903167

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid (CID 82228548) is 2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is FMGNDRLDCYYQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO4/c11-8-2-1-5(3-9(8)12(15)16)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H,13,14).
What are the key properties of 2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid?
2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 241.63 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82228548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).