2-amino-5-chloro-4-nitrobenzaldehyde

C7H5ClN2O3 — CID 11344681

IUPAC2-amino-5-chloro-4-nitrobenzaldehyde
SMILESNc1cc([N+](=O)[O-])c(Cl)cc1C=O
InChIInChI=1S/C7H5ClN2O3/c8-5-1-4(3-11)6(9)2-7(5)10(12)13/h1-3H,9H2
InChIKeyBDWFFYALNKTYFG-UHFFFAOYSA-N
MW200.58 g/mol
LogP1.64
Rot. Bonds2

About 2-amino-5-chloro-4-nitrobenzaldehyde

2-amino-5-chloro-4-nitrobenzaldehyde (PubChem CID 11344681) has the molecular formula C7H5ClN2O3 and a molecular weight of 200.58 g/mol. Its IUPAC name is 2-amino-5-chloro-4-nitrobenzaldehyde.

Molecular Properties

Compound Name2-amino-5-chloro-4-nitrobenzaldehyde
PubChem CID11344681
Molecular FormulaC7H5ClN2O3
Molecular Weight200.58 g/mol
Exact Mass200.00
IUPAC Name2-amino-5-chloro-4-nitrobenzaldehyde
SMILESNc1cc([N+](=O)[O-])c(Cl)cc1C=O
InChIInChI=1S/C7H5ClN2O3/c8-5-1-4(3-11)6(9)2-7(5)10(12)13/h1-3H,9H2
InChIKeyBDWFFYALNKTYFG-UHFFFAOYSA-N
XLogP1.64
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.58
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

2-amino-5-methyl-4-nitrobenzaldehyde
CID 20585942
4-bromo-5-chloro-2-nitrobenzaldehyde
CID 15366549
2-amino-4-bromo-5-chlorobenzaldehyde
CID 118953742
3-amino-6,7-dichloronaphthalene-2-carbaldehyde
CID 57122815
2-amino-5-chloro-4-(trifluoromethyl)benzaldehyde
CID 119009707
5-chloro-4-nitro-2-prop-2-enoxyaniline
CID 21075374
(E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine
CID 10563333
2-(2-amino-4-chloro-5-nitrophenyl)ethanol
CID 11138530
2-chloro-4-(dimethylamino)-5-nitrobenzaldehyde
CID 13235809
2-chloro-5-methyl-3-nitrobenzaldehyde
CID 119004407
3-(4-amino-2-chloro-5-nitrophenyl)propanal
CID 58500827
4-chloro-5-fluoro-2-nitroaniline
CID 10465141

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-4-nitrobenzaldehyde?
The IUPAC name of 2-amino-5-chloro-4-nitrobenzaldehyde (CID 11344681) is 2-amino-5-chloro-4-nitrobenzaldehyde.
What is the SMILES notation for 2-amino-5-chloro-4-nitrobenzaldehyde?
The canonical SMILES for 2-amino-5-chloro-4-nitrobenzaldehyde is Nc1cc([N+](=O)[O-])c(Cl)cc1C=O.
What is the InChIKey of 2-amino-5-chloro-4-nitrobenzaldehyde?
The InChIKey is BDWFFYALNKTYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O3/c8-5-1-4(3-11)6(9)2-7(5)10(12)13/h1-3H,9H2.
What are the key properties of 2-amino-5-chloro-4-nitrobenzaldehyde?
2-amino-5-chloro-4-nitrobenzaldehyde has a molecular weight of 200.58 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-4-nitrobenzaldehyde is sourced from PubChem (CID 11344681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).