2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid

C14H10FNO5 — CID 171121619

IUPAC2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)c(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10FNO5/c1-21-12-5-3-2-4-9(12)8-6-10(14(17)18)13(15)11(7-8)16(19)20/h2-7H,1H3,(H,17,18)
InChIKeyHYXVLZABVZBLKU-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.11
Rot. Bonds4

About 2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid

2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid (PubChem CID 171121619) has the molecular formula C14H10FNO5 and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid
PubChem CID171121619
Molecular FormulaC14H10FNO5
Molecular Weight291.23 g/mol
Exact Mass291.05
IUPAC Name2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)c(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10FNO5/c1-21-12-5-3-2-4-9(12)8-6-10(14(17)18)13(15)11(7-8)16(19)20/h2-7H,1H3,(H,17,18)
InChIKeyHYXVLZABVZBLKU-UHFFFAOYSA-N
XLogP3.11
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid
CID 19604448
3-(2-methoxyphenyl)-2-nitrobenzoic acid
CID 141393967
5-(3-chlorophenyl)-2-fluoro-3-nitrobenzoic acid
CID 171121626
4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene
CID 22147723
4-methoxy-3-(2-nitrophenyl)benzoic acid
CID 82039203
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
2,5-difluoro-3-nitrobenzoic acid
CID 15622527
2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide
CID 110317070
2-fluoro-5-methoxy-1-nitro-3-phenylbenzene
CID 91554743
2-amino-5-(2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222773
4-(3-chloro-4-methoxyphenyl)-2-nitrobenzoic acid
CID 53227527
2-(3,5-dimethoxy-4-nitrophenoxy)benzoic acid
CID 175372250

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid?
The IUPAC name of 2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid (CID 171121619) is 2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid.
What is the SMILES notation for 2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid?
The canonical SMILES for 2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid is COc1ccccc1-c1cc(C(=O)O)c(F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid?
The InChIKey is HYXVLZABVZBLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO5/c1-21-12-5-3-2-4-9(12)8-6-10(14(17)18)13(15)11(7-8)16(19)20/h2-7H,1H3,(H,17,18).
What are the key properties of 2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid?
2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid has a molecular weight of 291.23 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid is sourced from PubChem (CID 171121619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).