3-chloro-2-methyl-6-nitrobenzaldehyde

C8H6ClNO3 — CID 130966517

IUPAC3-chloro-2-methyl-6-nitrobenzaldehyde
SMILESCc1c(Cl)ccc([N+](=O)[O-])c1C=O
InChIInChI=1S/C8H6ClNO3/c1-5-6(4-11)8(10(12)13)3-2-7(5)9/h2-4H,1H3
InChIKeyGMKBZJWCTVUMGP-UHFFFAOYSA-N
MW199.59 g/mol
LogP2.37
Rot. Bonds2

About 3-chloro-2-methyl-6-nitrobenzaldehyde

3-chloro-2-methyl-6-nitrobenzaldehyde (PubChem CID 130966517) has the molecular formula C8H6ClNO3 and a molecular weight of 199.59 g/mol. Its IUPAC name is 3-chloro-2-methyl-6-nitrobenzaldehyde.

Molecular Properties

Compound Name3-chloro-2-methyl-6-nitrobenzaldehyde
PubChem CID130966517
Molecular FormulaC8H6ClNO3
Molecular Weight199.59 g/mol
Exact Mass199.00
IUPAC Name3-chloro-2-methyl-6-nitrobenzaldehyde
SMILESCc1c(Cl)ccc([N+](=O)[O-])c1C=O
InChIInChI=1S/C8H6ClNO3/c1-5-6(4-11)8(10(12)13)3-2-7(5)9/h2-4H,1H3
InChIKeyGMKBZJWCTVUMGP-UHFFFAOYSA-N
XLogP2.37
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

6-chloro-2-methyl-3-nitrobenzaldehyde
CID 130848770
3-chloro-6-nitrophthalaldehyde
CID 171006758
2-chloro-6-methyl-3-nitrobenzaldehyde
CID 119014184
1-chloro-2-methyl-3-methylsulfanyl-4-nitrobenzene
CID 91881182
2-chloro-3-hydroxy-6-nitrobenzaldehyde
CID 13147354
3-chloro-2-methyl-6-nitrobenzamide
CID 131072971
1-chloro-2-methyl-3-nitrobenzene
CID 6740
1-chloro-3-isocyanato-2-methyl-4-nitrobenzene
CID 171030197
6-formyl-2-methyl-3-nitrobenzenesulfonyl chloride
CID 172969877
2-(3-chloro-2-methyl-6-nitrophenyl)acetonitrile
CID 130526608
3-(3-chloro-2-methyl-6-nitrophenyl)-2-oxopropanoic acid
CID 21396339
1-chloro-2,4-dimethyl-3-nitrobenzene
CID 20508440

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-6-nitrobenzaldehyde?
The IUPAC name of 3-chloro-2-methyl-6-nitrobenzaldehyde (CID 130966517) is 3-chloro-2-methyl-6-nitrobenzaldehyde.
What is the SMILES notation for 3-chloro-2-methyl-6-nitrobenzaldehyde?
The canonical SMILES for 3-chloro-2-methyl-6-nitrobenzaldehyde is Cc1c(Cl)ccc([N+](=O)[O-])c1C=O.
What is the InChIKey of 3-chloro-2-methyl-6-nitrobenzaldehyde?
The InChIKey is GMKBZJWCTVUMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO3/c1-5-6(4-11)8(10(12)13)3-2-7(5)9/h2-4H,1H3.
What are the key properties of 3-chloro-2-methyl-6-nitrobenzaldehyde?
3-chloro-2-methyl-6-nitrobenzaldehyde has a molecular weight of 199.59 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-6-nitrobenzaldehyde is sourced from PubChem (CID 130966517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).