2-chloro-6-methyl-3-nitrobenzaldehyde

C8H6ClNO3 — CID 119014184

IUPAC2-chloro-6-methyl-3-nitrobenzaldehyde
SMILESCc1ccc([N+](=O)[O-])c(Cl)c1C=O
InChIInChI=1S/C8H6ClNO3/c1-5-2-3-7(10(12)13)8(9)6(5)4-11/h2-4H,1H3
InChIKeyCIPOLAFFVXWCCK-UHFFFAOYSA-N
MW199.59 g/mol
LogP2.37
Rot. Bonds2

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

2-chloro-6-methyl-3-nitrobenzaldehyde (PubChem CID 119014184) has the molecular formula C8H6ClNO3 and a molecular weight of 199.59 g/mol. Its IUPAC name is 2-chloro-6-methyl-3-nitrobenzaldehyde.

Molecular Properties

Compound Name2-chloro-6-methyl-3-nitrobenzaldehyde
PubChem CID119014184
Molecular FormulaC8H6ClNO3
Molecular Weight199.59 g/mol
Exact Mass199.00
IUPAC Name2-chloro-6-methyl-3-nitrobenzaldehyde
SMILESCc1ccc([N+](=O)[O-])c(Cl)c1C=O
InChIInChI=1S/C8H6ClNO3/c1-5-2-3-7(10(12)13)8(9)6(5)4-11/h2-4H,1H3
InChIKeyCIPOLAFFVXWCCK-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-2-methyl-6-nitrobenzaldehyde
CID 130966517
2-benzyl-6-methyl-3-nitrobenzaldehyde
CID 58374389
3-chloro-6-nitrophthalaldehyde
CID 171006758
2-chloro-3-hydroxy-6-nitrobenzaldehyde
CID 13147354
2-chloro-4-methylbenzene-1,3-dicarbaldehyde
CID 141225614
(2-chloro-6-methyl-3-nitrophenyl)methanol
CID 130826389
N-(3-chloro-2-methyl-4-nitrophenyl)formamide
CID 168654498
2-chloro-1-(2-chloro-6-methyl-3-nitrophenyl)ethanone
CID 131434082
2-chloro-3-methoxy-1-methyl-4-nitrobenzene
CID 119002827
3-chloro-2-(difluoromethoxy)-1-methyl-4-nitrobenzene
CID 134625946
3-chloro-2-methyl-4-nitropyridine
CID 21364039

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-3-nitrobenzaldehyde?
The IUPAC name of 2-chloro-6-methyl-3-nitrobenzaldehyde (CID 119014184) is 2-chloro-6-methyl-3-nitrobenzaldehyde.
What is the SMILES notation for 2-chloro-6-methyl-3-nitrobenzaldehyde?
The canonical SMILES for 2-chloro-6-methyl-3-nitrobenzaldehyde is Cc1ccc([N+](=O)[O-])c(Cl)c1C=O.
What is the InChIKey of 2-chloro-6-methyl-3-nitrobenzaldehyde?
The InChIKey is CIPOLAFFVXWCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO3/c1-5-2-3-7(10(12)13)8(9)6(5)4-11/h2-4H,1H3.
What are the key properties of 2-chloro-6-methyl-3-nitrobenzaldehyde?
2-chloro-6-methyl-3-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 2-chloro-6-methyl-3-nitrobenzaldehyde is sourced from PubChem (CID 119014184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).