2-fluoro-4-methyl-3-nitrobenzaldehyde

C8H6FNO3 — CID 130767898

IUPAC2-fluoro-4-methyl-3-nitrobenzaldehyde
SMILESCc1ccc(C=O)c(F)c1[N+](=O)[O-]
InChIInChI=1S/C8H6FNO3/c1-5-2-3-6(4-11)7(9)8(5)10(12)13/h2-4H,1H3
InChIKeyITUQKBLASNHKAO-UHFFFAOYSA-N
MW183.14 g/mol
LogP1.85
Rot. Bonds2

About 2-fluoro-4-methyl-3-nitrobenzaldehyde

2-fluoro-4-methyl-3-nitrobenzaldehyde (PubChem CID 130767898) has the molecular formula C8H6FNO3 and a molecular weight of 183.14 g/mol. Its IUPAC name is 2-fluoro-4-methyl-3-nitrobenzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-methyl-3-nitrobenzaldehyde
PubChem CID130767898
Molecular FormulaC8H6FNO3
Molecular Weight183.14 g/mol
Exact Mass183.03
IUPAC Name2-fluoro-4-methyl-3-nitrobenzaldehyde
SMILESCc1ccc(C=O)c(F)c1[N+](=O)[O-]
InChIInChI=1S/C8H6FNO3/c1-5-2-3-6(4-11)7(9)8(5)10(12)13/h2-4H,1H3
InChIKeyITUQKBLASNHKAO-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

4-fluoro-3-methyl-2-nitrobenzaldehyde
CID 118821863
(3-fluoro-4-formyl-2-nitrophenyl)carbamic acid
CID 155315355
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
3-chloro-2-fluoro-4-methylbenzaldehyde
CID 118990191
ethane;3-methyl-2-nitrobenzaldehyde;propane
CID 165131834
5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde
CID 61038190
methyl 2-fluoro-4-methyl-3-nitrobenzoate
CID 131875204
2-chloro-1-fluoro-4-methyl-3-nitrobenzene
CID 130807356
6-methyl-5-nitroquinoxaline
CID 55271660
3-acetyl-2-fluoro-4-methylbenzaldehyde
CID 171010106
(3-fluoro-4-methyl-2-nitrophenyl)methanamine
CID 130968438
1-(chloromethyl)-3-fluoro-4-methyl-2-nitrobenzene
CID 130999829

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-3-nitrobenzaldehyde?
The IUPAC name of 2-fluoro-4-methyl-3-nitrobenzaldehyde (CID 130767898) is 2-fluoro-4-methyl-3-nitrobenzaldehyde.
What is the SMILES notation for 2-fluoro-4-methyl-3-nitrobenzaldehyde?
The canonical SMILES for 2-fluoro-4-methyl-3-nitrobenzaldehyde is Cc1ccc(C=O)c(F)c1[N+](=O)[O-].
What is the InChIKey of 2-fluoro-4-methyl-3-nitrobenzaldehyde?
The InChIKey is ITUQKBLASNHKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO3/c1-5-2-3-6(4-11)7(9)8(5)10(12)13/h2-4H,1H3.
What are the key properties of 2-fluoro-4-methyl-3-nitrobenzaldehyde?
2-fluoro-4-methyl-3-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-4-methyl-3-nitrobenzaldehyde is sourced from PubChem (CID 130767898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).