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

C12H7ClN2O5 — CID 81225444

IUPAC4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Oc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H7ClN2O5/c13-9-2-1-7(15(18)19)5-11(9)20-10-3-4-14-6-8(10)12(16)17/h1-6H,(H,16,17)
InChIKeyXALZXJIWDVZVFU-UHFFFAOYSA-N
MW294.65 g/mol
LogP3.13
Rot. Bonds4

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

4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid (PubChem CID 81225444) has the molecular formula C12H7ClN2O5 and a molecular weight of 294.65 g/mol. Its IUPAC name is 4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid
PubChem CID81225444
Molecular FormulaC12H7ClN2O5
Molecular Weight294.65 g/mol
Exact Mass294.00
IUPAC Name4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Oc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H7ClN2O5/c13-9-2-1-7(15(18)19)5-11(9)20-10-3-4-14-6-8(10)12(16)17/h1-6H,(H,16,17)
InChIKeyXALZXJIWDVZVFU-UHFFFAOYSA-N
XLogP3.13
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.65
LogP ≤ 53.13
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'}

Analyze 4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-5-nitrophenoxy)-4-methylbenzoic acid
CID 63991598
5-[(3-chloro-4-pyridinyl)oxy]-2-nitrobenzoic acid
CID 107077869
CID 161054765
CID 161054765
1-[3-chloro-4-(2-chloro-5-nitrophenoxy)phenyl]ethanone
CID 63991975
4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81225523
4-(2,5-dichlorophenoxy)-3-nitropyridine
CID 52840234
1-[3-(2-chloro-5-nitrophenoxy)phenyl]ethanone
CID 79168562
4-(2-chloro-5-nitrophenoxy)thiophene-2-carboxylic acid
CID 113404043
4-chloro-2-(2-chloro-4-nitrophenoxy)benzoic acid
CID 61395911
5-chloro-2-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 61395827
5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916898
methyl 6-(2-chloro-5-nitrophenoxy)pyrazine-2-carboxylate
CID 66457111

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid (CID 81225444) is 4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid is O=C(O)c1cnccc1Oc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid?
The InChIKey is XALZXJIWDVZVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O5/c13-9-2-1-7(15(18)19)5-11(9)20-10-3-4-14-6-8(10)12(16)17/h1-6H,(H,16,17).
What are the key properties of 4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid?
4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid has a molecular weight of 294.65 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 81225444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).