2-fluoro-6-methoxy-3-nitrobenzaldehyde

C8H6FNO4 — CID 138561888

IUPAC2-fluoro-6-methoxy-3-nitrobenzaldehyde
SMILESCOc1ccc([N+](=O)[O-])c(F)c1C=O
InChIInChI=1S/C8H6FNO4/c1-14-7-3-2-6(10(12)13)8(9)5(7)4-11/h2-4H,1H3
InChIKeyRVQOSZANSXQWCK-UHFFFAOYSA-N
MW199.14 g/mol
LogP1.55
Rot. Bonds3

About 2-fluoro-6-methoxy-3-nitrobenzaldehyde

2-fluoro-6-methoxy-3-nitrobenzaldehyde (PubChem CID 138561888) has the molecular formula C8H6FNO4 and a molecular weight of 199.14 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-3-nitrobenzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-methoxy-3-nitrobenzaldehyde
PubChem CID138561888
Molecular FormulaC8H6FNO4
Molecular Weight199.14 g/mol
Exact Mass199.03
IUPAC Name2-fluoro-6-methoxy-3-nitrobenzaldehyde
SMILESCOc1ccc([N+](=O)[O-])c(F)c1C=O
InChIInChI=1S/C8H6FNO4/c1-14-7-3-2-6(10(12)13)8(9)5(7)4-11/h2-4H,1H3
InChIKeyRVQOSZANSXQWCK-UHFFFAOYSA-N
XLogP1.55
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(difluoromethoxy)-2-fluoro-3-nitrobenzaldehyde
CID 171031933
methyl 2-formyl-6-methoxy-3-nitrobenzoate
CID 171023954
2-tert-butyl-3-methoxy-6-nitrobenzaldehyde
CID 118609286
2-fluoro-3-formyl-4-methoxybenzonitrile
CID 131267747
2-fluoro-3-methoxy-N-methyl-6-nitroaniline
CID 66749284
4-methoxy-3-nitrobenzaldehyde
CID 700608
1,5-dimethoxy-4,8-dinitroanthracene-9,10-dione
CID 21413446
6-hydroxy-3-methoxy-2-nitrobenzaldehyde
CID 44614059
2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene
CID 58071374
2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
2-fluoro-1-methoxy-5-methyl-3-nitrobenzene
CID 131213041
(E)-3-(2-fluoro-3-formyl-4-methoxyphenyl)prop-2-enoic acid
CID 171009977

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-3-nitrobenzaldehyde?
The IUPAC name of 2-fluoro-6-methoxy-3-nitrobenzaldehyde (CID 138561888) is 2-fluoro-6-methoxy-3-nitrobenzaldehyde.
What is the SMILES notation for 2-fluoro-6-methoxy-3-nitrobenzaldehyde?
The canonical SMILES for 2-fluoro-6-methoxy-3-nitrobenzaldehyde is COc1ccc([N+](=O)[O-])c(F)c1C=O.
What is the InChIKey of 2-fluoro-6-methoxy-3-nitrobenzaldehyde?
The InChIKey is RVQOSZANSXQWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO4/c1-14-7-3-2-6(10(12)13)8(9)5(7)4-11/h2-4H,1H3.
What are the key properties of 2-fluoro-6-methoxy-3-nitrobenzaldehyde?
2-fluoro-6-methoxy-3-nitrobenzaldehyde has a molecular weight of 199.14 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-3-nitrobenzaldehyde is sourced from PubChem (CID 138561888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).