2-fluoro-6-methyl-4-nitrobenzaldehyde

C8H6FNO3 — CID 131125676

IUPAC2-fluoro-6-methyl-4-nitrobenzaldehyde
SMILESCc1cc([N+](=O)[O-])cc(F)c1C=O
InChIInChI=1S/C8H6FNO3/c1-5-2-6(10(12)13)3-8(9)7(5)4-11/h2-4H,1H3
InChIKeyOQAJCKPBTULPHM-UHFFFAOYSA-N
MW183.14 g/mol
LogP1.85
Rot. Bonds2

About 2-fluoro-6-methyl-4-nitrobenzaldehyde

2-fluoro-6-methyl-4-nitrobenzaldehyde (PubChem CID 131125676) has the molecular formula C8H6FNO3 and a molecular weight of 183.14 g/mol. Its IUPAC name is 2-fluoro-6-methyl-4-nitrobenzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-methyl-4-nitrobenzaldehyde
PubChem CID131125676
Molecular FormulaC8H6FNO3
Molecular Weight183.14 g/mol
Exact Mass183.03
IUPAC Name2-fluoro-6-methyl-4-nitrobenzaldehyde
SMILESCc1cc([N+](=O)[O-])cc(F)c1C=O
InChIInChI=1S/C8H6FNO3/c1-5-2-6(10(12)13)3-8(9)7(5)4-11/h2-4H,1H3
InChIKeyOQAJCKPBTULPHM-UHFFFAOYSA-N
XLogP1.85
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 51.85
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

(E)-3-(2-fluoro-6-methyl-4-nitrophenyl)prop-2-enoic acid
CID 134620420
1-fluoro-2-methoxy-3-methyl-5-nitrobenzene
CID 131014124
2,6-diiodo-4-nitrobenzaldehyde
CID 21468410
2-fluoro-3-methyl-5-nitroaniline
CID 130935349
3-[(E)-2-(2-fluoro-6-methyl-4-nitrophenyl)ethenyl]benzoic acid
CID 175485934
2-fluoro-6-methyl-4-nitrobenzamide
CID 130969161
1,2-bis(ethenyl)-3-methyl-5-nitrobenzene
CID 142394225
2,6-dimethyl-4-nitrophenolate
CID 6993803
2-fluoro-3-methyl-5-nitrobenzenethiol
CID 130926055
1-chloro-2-fluoro-3-methyl-5-nitrobenzene
CID 86042359
N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide
CID 169371685
1,3-difluoro-2-methoxy-5-nitrobenzene
CID 605060

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-4-nitrobenzaldehyde?
The IUPAC name of 2-fluoro-6-methyl-4-nitrobenzaldehyde (CID 131125676) is 2-fluoro-6-methyl-4-nitrobenzaldehyde.
What is the SMILES notation for 2-fluoro-6-methyl-4-nitrobenzaldehyde?
The canonical SMILES for 2-fluoro-6-methyl-4-nitrobenzaldehyde is Cc1cc([N+](=O)[O-])cc(F)c1C=O.
What is the InChIKey of 2-fluoro-6-methyl-4-nitrobenzaldehyde?
The InChIKey is OQAJCKPBTULPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO3/c1-5-2-6(10(12)13)3-8(9)7(5)4-11/h2-4H,1H3.
What are the key properties of 2-fluoro-6-methyl-4-nitrobenzaldehyde?
2-fluoro-6-methyl-4-nitrobenzaldehyde has a molecular weight of 183.14 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-4-nitrobenzaldehyde is sourced from PubChem (CID 131125676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).