3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid

C14H12N2O5 — CID 61380157

IUPAC3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid
SMILESCc1c(COc2cccnc2C(=O)O)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O5/c1-9-10(4-2-5-11(9)16(19)20)8-21-12-6-3-7-15-13(12)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyIZUJKMCZGMXTFM-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.58
Rot. Bonds5

About 3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid

3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid (PubChem CID 61380157) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid
PubChem CID61380157
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid
SMILESCc1c(COc2cccnc2C(=O)O)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O5/c1-9-10(4-2-5-11(9)16(19)20)8-21-12-6-3-7-15-13(12)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyIZUJKMCZGMXTFM-UHFFFAOYSA-N
XLogP2.58
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-4-carboxylic acid
CID 81439548
3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide
CID 62893728
3-[(2-methyl-3-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 63336186
2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891830
2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene
CID 107662001
3-[(2-methyl-5-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63075197
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024
[2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine
CID 114318299
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid
CID 61380335
4-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63885173
3-methyl-4-nitropyridine-2-carboxylic acid
CID 21297413

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid (CID 61380157) is 3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid is Cc1c(COc2cccnc2C(=O)O)cccc1[N+](=O)[O-].
What is the InChIKey of 3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is IZUJKMCZGMXTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-9-10(4-2-5-11(9)16(19)20)8-21-12-6-3-7-15-13(12)14(17)18/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid?
3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 288.26 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 61380157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).