2-[2-[2-(4-chloro-2-nitrophenyl)acetyl]hydrazinyl]acetic acid

C10H10ClN3O5 — CID 23163293

IUPAC2-[2-[2-(4-chloro-2-nitrophenyl)acetyl]hydrazinyl]acetic acid
SMILESO=C(O)CNNC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O5/c11-7-2-1-6(8(4-7)14(18)19)3-9(15)13-12-5-10(16)17/h1-2,4,12H,3,5H2,(H,13,15)(H,16,17)
InChIKeyMTUYBAAQZVKRSY-UHFFFAOYSA-N
MW287.66 g/mol
LogP0.50
Rot. Bonds6

About 2-[2-[2-(4-chloro-2-nitrophenyl)acetyl]hydrazinyl]acetic acid

2-[2-[2-(4-chloro-2-nitrophenyl)acetyl]hydrazinyl]acetic acid (PubChem CID 23163293) has the molecular formula C10H10ClN3O5 and a molecular weight of 287.66 g/mol. Its IUPAC name is 2-[2-[2-(4-chloro-2-nitrophenyl)acetyl]hydrazinyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(4-chloro-2-nitrophenyl)acetyl]hydrazinyl]acetic acid
PubChem CID23163293
Molecular FormulaC10H10ClN3O5
Molecular Weight287.66 g/mol
Exact Mass287.03
IUPAC Name2-[2-[2-(4-chloro-2-nitrophenyl)acetyl]hydrazinyl]acetic acid
SMILESO=C(O)CNNC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O5/c11-7-2-1-6(8(4-7)14(18)19)3-9(15)13-12-5-10(16)17/h1-2,4,12H,3,5H2,(H,13,15)(H,16,17)
InChIKeyMTUYBAAQZVKRSY-UHFFFAOYSA-N
XLogP0.50
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.66
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-[(4-chloro-2-nitrophenyl)methylcarbamoylamino]acetic acid
CID 62098203
4-[(4-chloro-2-nitrophenyl)methylamino]butanoic acid
CID 62101444
2-[(4-chloro-2-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 62100924
2-[(5-chloro-2-nitrophenyl)methylcarbamoylamino]acetic acid
CID 79583127
bis[(4-chloro-2-nitrophenyl)methyl] butanedioate
CID 91725719
4-chloro-N-[(4-chloro-2-nitrophenyl)methyl]aniline
CID 62101079
2-(4-chloro-2-nitrophenoxy)acetic acid
CID 715650
2-[(4-chloro-2-nitrophenyl)methyl]-3-methoxy-3-oxopropanoic acid
CID 113360324
ethyl N-[(4-chloro-2-nitrophenyl)methyl]carbamate
CID 71325587
2-[(4-chloro-2-nitrophenyl)methylamino]-2-methylpentanoic acid
CID 62101780
N-[(4-chloro-2-nitrophenyl)methyl]-1-pyridin-4-ylmethanamine
CID 55036935
3-(4-chloro-2-nitrophenoxy)-3-oxopropanoic acid
CID 54286951

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chloro-2-nitrophenyl)acetyl]hydrazinyl]acetic acid?
The IUPAC name of 2-[2-[2-(4-chloro-2-nitrophenyl)acetyl]hydrazinyl]acetic acid (CID 23163293) is 2-[2-[2-(4-chloro-2-nitrophenyl)acetyl]hydrazinyl]acetic acid.
What is the SMILES notation for 2-[2-[2-(4-chloro-2-nitrophenyl)acetyl]hydrazinyl]acetic acid?
The canonical SMILES for 2-[2-[2-(4-chloro-2-nitrophenyl)acetyl]hydrazinyl]acetic acid is O=C(O)CNNC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-[2-[2-(4-chloro-2-nitrophenyl)acetyl]hydrazinyl]acetic acid?
The InChIKey is MTUYBAAQZVKRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O5/c11-7-2-1-6(8(4-7)14(18)19)3-9(15)13-12-5-10(16)17/h1-2,4,12H,3,5H2,(H,13,15)(H,16,17).
What are the key properties of 2-[2-[2-(4-chloro-2-nitrophenyl)acetyl]hydrazinyl]acetic acid?
2-[2-[2-(4-chloro-2-nitrophenyl)acetyl]hydrazinyl]acetic acid has a molecular weight of 287.66 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chloro-2-nitrophenyl)acetyl]hydrazinyl]acetic acid is sourced from PubChem (CID 23163293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).