2-chloro-N,4-dimethyl-6-nitroaniline

C8H9ClN2O2 — CID 21161522

IUPAC2-chloro-N,4-dimethyl-6-nitroaniline
SMILESCNc1c(Cl)cc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C8H9ClN2O2/c1-5-3-6(9)8(10-2)7(4-5)11(12)13/h3-4,10H,1-2H3
InChIKeyPZCPKBMAWSZMJL-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.60
Rot. Bonds2

About 2-chloro-N,4-dimethyl-6-nitroaniline

2-chloro-N,4-dimethyl-6-nitroaniline (PubChem CID 21161522) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-chloro-N,4-dimethyl-6-nitroaniline.

Molecular Properties

Compound Name2-chloro-N,4-dimethyl-6-nitroaniline
PubChem CID21161522
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name2-chloro-N,4-dimethyl-6-nitroaniline
SMILESCNc1c(Cl)cc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C8H9ClN2O2/c1-5-3-6(9)8(10-2)7(4-5)11(12)13/h3-4,10H,1-2H3
InChIKeyPZCPKBMAWSZMJL-UHFFFAOYSA-N
XLogP2.60
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.60
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

N,2,4-trimethyl-6-nitroaniline
CID 10583519
3-chloro-4-(methylamino)-5-nitro-N,N-dipropylbenzamide
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CID 62173035
3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide
CID 62170600
[3-chloro-4-(methylamino)-5-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 62173229
2-chloro-N,4-dimethyl-5-nitroaniline
CID 118991165
3-chloro-4-(methylamino)-N-[3-(methylamino)-3-oxopropyl]-5-nitrobenzamide
CID 62175197
3-chloro-N-[2-(dimethylamino)ethyl]-4-(methylamino)-5-nitrobenzamide
CID 62171325
3-chloro-4-(methylamino)-N-(5-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 62165491
3-chloro-4-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide
CID 62691881
sodium 4-methyl-2,6-dinitrophenolate
CID 102438433
3-chloro-N-(cyclopropylmethyl)-N-methyl-4-(methylamino)-5-nitrobenzamide
CID 62181841

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,4-dimethyl-6-nitroaniline?
The IUPAC name of 2-chloro-N,4-dimethyl-6-nitroaniline (CID 21161522) is 2-chloro-N,4-dimethyl-6-nitroaniline.
What is the SMILES notation for 2-chloro-N,4-dimethyl-6-nitroaniline?
The canonical SMILES for 2-chloro-N,4-dimethyl-6-nitroaniline is CNc1c(Cl)cc(C)cc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N,4-dimethyl-6-nitroaniline?
The InChIKey is PZCPKBMAWSZMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-5-3-6(9)8(10-2)7(4-5)11(12)13/h3-4,10H,1-2H3.
What are the key properties of 2-chloro-N,4-dimethyl-6-nitroaniline?
2-chloro-N,4-dimethyl-6-nitroaniline has a molecular weight of 200.62 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,4-dimethyl-6-nitroaniline is sourced from PubChem (CID 21161522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).