5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde

C17H10FNO3 — CID 102106645

IUPAC5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde
SMILESO=Cc1cc(F)ccc1-c1c([N+](=O)[O-])ccc2ccccc12
InChIInChI=1S/C17H10FNO3/c18-13-6-7-15(12(9-13)10-20)17-14-4-2-1-3-11(14)5-8-16(17)19(21)22/h1-10H
InChIKeyMLKGWZGSNOGMLC-UHFFFAOYSA-N
MW295.27 g/mol
LogP4.37
Rot. Bonds3

About 5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde

5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde (PubChem CID 102106645) has the molecular formula C17H10FNO3 and a molecular weight of 295.27 g/mol. Its IUPAC name is 5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde
PubChem CID102106645
Molecular FormulaC17H10FNO3
Molecular Weight295.27 g/mol
Exact Mass295.06
IUPAC Name5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde
SMILESO=Cc1cc(F)ccc1-c1c([N+](=O)[O-])ccc2ccccc12
InChIInChI=1S/C17H10FNO3/c18-13-6-7-15(12(9-13)10-20)17-14-4-2-1-3-11(14)5-8-16(17)19(21)22/h1-10H
InChIKeyMLKGWZGSNOGMLC-UHFFFAOYSA-N
XLogP4.37
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 54.37
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

1-(5-fluoro-2-nitrophenyl)naphthalene
CID 121246133
2-(2-nitrophenyl)naphthalene-1-carbaldehyde
CID 10778882
3-nitronaphthalene-2-carbaldehyde
CID 12069028
2-(2-bromophenyl)-5-fluorobenzaldehyde
CID 71600185
2-(2-nitronaphthalen-1-yl)thianthrene
CID 145442067
1-(7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)naphthalene-2-carbaldehyde
CID 46908684
4-(2-chloro-4-fluorophenyl)-2-nitrobenzaldehyde
CID 176730065
5-(4-fluorobenzoyl)-2-nitrobenzaldehyde
CID 22405661
N-[(5-fluoro-2-nitrophenyl)methyl]-1-phenylmethanamine
CID 43443505
2-(dibutoxymethyl)-4-fluoro-1-nitrobenzene;5-fluoro-2-nitrobenzaldehyde
CID 157320094
2-nitro-1-(2-nitronaphthalen-1-yl)sulfanylnaphthalene
CID 172732341
1,2,3,4,5-pentafluoro-6-(4-fluoro-2-nitrophenyl)benzene
CID 118826390

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde?
The IUPAC name of 5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde (CID 102106645) is 5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde.
What is the SMILES notation for 5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde?
The canonical SMILES for 5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde is O=Cc1cc(F)ccc1-c1c([N+](=O)[O-])ccc2ccccc12.
What is the InChIKey of 5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde?
The InChIKey is MLKGWZGSNOGMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNO3/c18-13-6-7-15(12(9-13)10-20)17-14-4-2-1-3-11(14)5-8-16(17)19(21)22/h1-10H.
What are the key properties of 5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde?
5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde has a molecular weight of 295.27 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde is sourced from PubChem (CID 102106645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).