2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid

C11H10ClNO4 — CID 170578342

IUPAC2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid
SMILESO=C(O)Cc1cc(C2CC2)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H10ClNO4/c12-9-5-10(13(16)17)7(4-11(14)15)3-8(9)6-1-2-6/h3,5-6H,1-2,4H2,(H,14,15)
InChIKeyJGRZWGSMUQYSOX-UHFFFAOYSA-N
MW255.66 g/mol
LogP2.75
Rot. Bonds4

About 2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid

2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid (PubChem CID 170578342) has the molecular formula C11H10ClNO4 and a molecular weight of 255.66 g/mol. Its IUPAC name is 2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid
PubChem CID170578342
Molecular FormulaC11H10ClNO4
Molecular Weight255.66 g/mol
Exact Mass255.03
IUPAC Name2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid
SMILESO=C(O)Cc1cc(C2CC2)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H10ClNO4/c12-9-5-10(13(16)17)7(4-11(14)15)3-8(9)6-1-2-6/h3,5-6H,1-2,4H2,(H,14,15)
InChIKeyJGRZWGSMUQYSOX-UHFFFAOYSA-N
XLogP2.75
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 52.75
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'}

Analyze 2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid 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

N-[(4-chloro-5-cyclopropyl-2-nitrophenyl)methyl]methanesulfonamide
CID 169221132
2-(4,5-dichloro-2-nitrophenyl)acetate
CID 6994184
2-(5-chloro-4-methoxy-2-nitrophenyl)acetic acid
CID 171003063
4-chloro-1-cyclopropyl-2-nitrobenzene
CID 130133348
2-(2,6-dichloro-3-nitrophenyl)acetic acid
CID 54265437
2-(2-chloro-6-methyl-4-nitrophenyl)acetic acid
CID 118994614
1-(4-chloro-5-fluoro-2-nitrophenyl)propan-2-one
CID 66077079
2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134685549
2-(2-chloro-4-methoxy-5-nitrophenyl)acetic acid
CID 171002675
2-chloro-4-cyclopropyl-5-nitropyridine
CID 168888744
ethyl 3-(4,5-dichloro-2-nitrophenyl)-2-oxopropanoate
CID 10733409
2-(2-chloro-4-methoxy-6-nitrophenyl)acetic acid
CID 171002728

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid?
The IUPAC name of 2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid (CID 170578342) is 2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid.
What is the SMILES notation for 2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid?
The canonical SMILES for 2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid is O=C(O)Cc1cc(C2CC2)c(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid?
The InChIKey is JGRZWGSMUQYSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4/c12-9-5-10(13(16)17)7(4-11(14)15)3-8(9)6-1-2-6/h3,5-6H,1-2,4H2,(H,14,15).
What are the key properties of 2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid?
2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid has a molecular weight of 255.66 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-cyclopropyl-2-nitrophenyl)acetic acid is sourced from PubChem (CID 170578342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).