4-fluoro-3-methyl-2-nitrobenzaldehyde

C8H6FNO3 — CID 118821863

IUPAC4-fluoro-3-methyl-2-nitrobenzaldehyde
SMILESCc1c(F)ccc(C=O)c1[N+](=O)[O-]
InChIInChI=1S/C8H6FNO3/c1-5-7(9)3-2-6(4-11)8(5)10(12)13/h2-4H,1H3
InChIKeyRKXGJGMPRWMGPK-UHFFFAOYSA-N
MW183.14 g/mol
LogP1.85
Rot. Bonds2

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

4-fluoro-3-methyl-2-nitrobenzaldehyde (PubChem CID 118821863) has the molecular formula C8H6FNO3 and a molecular weight of 183.14 g/mol. Its IUPAC name is 4-fluoro-3-methyl-2-nitrobenzaldehyde.

Molecular Properties

Compound Name4-fluoro-3-methyl-2-nitrobenzaldehyde
PubChem CID118821863
Molecular FormulaC8H6FNO3
Molecular Weight183.14 g/mol
Exact Mass183.03
IUPAC Name4-fluoro-3-methyl-2-nitrobenzaldehyde
SMILESCc1c(F)ccc(C=O)c1[N+](=O)[O-]
InChIInChI=1S/C8H6FNO3/c1-5-7(9)3-2-6(4-11)8(5)10(12)13/h2-4H,1H3
InChIKeyRKXGJGMPRWMGPK-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

2-fluoro-4-methyl-3-nitrobenzaldehyde
CID 130767898
4-fluoro-3-methyl-2-nitrobenzoic acid
CID 53430691
4-fluoro-3-methyl-2-nitrobenzamide
CID 131120224
3-chloro-4-methoxy-2-nitrobenzaldehyde
CID 77231457
ethane;3-methyl-2-nitrobenzaldehyde;propane
CID 165131834
4-fluoro-N,2-dimethyl-3-nitroaniline
CID 131053180
(3-fluoro-4-formyl-2-nitrophenyl)carbamic acid
CID 155315355
3-acetyl-6-fluoro-2-nitrobenzaldehyde
CID 171014526
4-fluoro-2-methyl-3-nitrobenzoyl chloride
CID 131056028
ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
3-chloro-1-fluoro-2-methyl-4-nitrobenzene
CID 13251509
2-nitro-3-sulfanylbenzaldehyde
CID 89138757

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-2-nitrobenzaldehyde?
The IUPAC name of 4-fluoro-3-methyl-2-nitrobenzaldehyde (CID 118821863) is 4-fluoro-3-methyl-2-nitrobenzaldehyde.
What is the SMILES notation for 4-fluoro-3-methyl-2-nitrobenzaldehyde?
The canonical SMILES for 4-fluoro-3-methyl-2-nitrobenzaldehyde is Cc1c(F)ccc(C=O)c1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-3-methyl-2-nitrobenzaldehyde?
The InChIKey is RKXGJGMPRWMGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO3/c1-5-7(9)3-2-6(4-11)8(5)10(12)13/h2-4H,1H3.
What are the key properties of 4-fluoro-3-methyl-2-nitrobenzaldehyde?
4-fluoro-3-methyl-2-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 4-fluoro-3-methyl-2-nitrobenzaldehyde is sourced from PubChem (CID 118821863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).