4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid

C13H10N2O5 — CID 61037967

IUPAC4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid
SMILESCc1cccc(Oc2ccnc(C(=O)O)c2)c1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O5/c1-8-3-2-4-11(12(8)15(18)19)20-9-5-6-14-10(7-9)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyBAAICBGJQRZZKI-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.79
Rot. Bonds4

About 4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid

4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid (PubChem CID 61037967) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid
PubChem CID61037967
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid
SMILESCc1cccc(Oc2ccnc(C(=O)O)c2)c1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O5/c1-8-3-2-4-11(12(8)15(18)19)20-9-5-6-14-10(7-9)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyBAAICBGJQRZZKI-UHFFFAOYSA-N
XLogP2.79
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.79
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

4-(3-methyl-2-nitrophenoxy)pyridine-2-carbonitrile
CID 55155911
3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380025
5-[(3-methyl-2-nitrophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397582
4-(2-ethoxyphenoxy)pyridine-2-carboxylic acid
CID 43142917
4-(2-acetamidophenoxy)pyridine-2-carboxylic acid
CID 43142934
3-(3-fluoro-4-methylphenoxy)-2-nitrobenzoic acid
CID 107168850
3-chloro-4-(3-methyl-2-nitrophenoxy)benzoic acid
CID 63090546
2-(3-methyl-2-nitrophenoxy)acetic acid
CID 43437973
2-(3-methyl-2-nitrophenoxy)phenol
CID 114041918
4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid
CID 62111596
4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
CID 43325985
8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline
CID 133391380

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid (CID 61037967) is 4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid is Cc1cccc(Oc2ccnc(C(=O)O)c2)c1[N+](=O)[O-].
What is the InChIKey of 4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid?
The InChIKey is BAAICBGJQRZZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-8-3-2-4-11(12(8)15(18)19)20-9-5-6-14-10(7-9)13(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid?
4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 61037967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).