5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid

C13H9ClN2O5 — CID 115556226

IUPAC5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1Oc1cncc(C(=O)O)c1
InChIInChI=1S/C13H9ClN2O5/c1-7-2-11(16(19)20)10(14)4-12(7)21-9-3-8(13(17)18)5-15-6-9/h2-6H,1H3,(H,17,18)
InChIKeyXVTXAJMISWHFDQ-UHFFFAOYSA-N
MW308.68 g/mol
LogP3.44
Rot. Bonds4

About 5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid

5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid (PubChem CID 115556226) has the molecular formula C13H9ClN2O5 and a molecular weight of 308.68 g/mol. Its IUPAC name is 5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
PubChem CID115556226
Molecular FormulaC13H9ClN2O5
Molecular Weight308.68 g/mol
Exact Mass308.02
IUPAC Name5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1Oc1cncc(C(=O)O)c1
InChIInChI=1S/C13H9ClN2O5/c1-7-2-11(16(19)20)10(14)4-12(7)21-9-3-8(13(17)18)5-15-6-9/h2-6H,1H3,(H,17,18)
InChIKeyXVTXAJMISWHFDQ-UHFFFAOYSA-N
XLogP3.44
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.68
LogP ≤ 53.44
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

5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 63851888
5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid
CID 103080470
5-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 63850359
5-(4-bromo-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 63852232
2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene
CID 107724224
3-[(5-chloro-3-pyridinyl)oxy]-4-nitrobenzoic acid
CID 82781472
5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
CID 113469480
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid
CID 105405869
3-[(5-bromo-3-pyridinyl)oxy]-4-nitrobenzoic acid
CID 82781366
1-[4-(5-chloro-2-methyl-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106486747
5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid
CID 63852590
5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 114272248

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid (CID 115556226) is 5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid is Cc1cc([N+](=O)[O-])c(Cl)cc1Oc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid?
The InChIKey is XVTXAJMISWHFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O5/c1-7-2-11(16(19)20)10(14)4-12(7)21-9-3-8(13(17)18)5-15-6-9/h2-6H,1H3,(H,17,18).
What are the key properties of 5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid?
5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid has a molecular weight of 308.68 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 115556226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).