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

C12H7ClN2O5 — CID 62111596

IUPAC4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc([N+](=O)[O-])c(Cl)c2)ccn1
InChIInChI=1S/C12H7ClN2O5/c13-9-5-7(1-2-11(9)15(18)19)20-8-3-4-14-10(6-8)12(16)17/h1-6H,(H,16,17)
InChIKeyAEZXUQLXCAMOMY-UHFFFAOYSA-N
MW294.65 g/mol
LogP3.13
Rot. Bonds4

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

4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid (PubChem CID 62111596) has the molecular formula C12H7ClN2O5 and a molecular weight of 294.65 g/mol. Its IUPAC name is 4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid
PubChem CID62111596
Molecular FormulaC12H7ClN2O5
Molecular Weight294.65 g/mol
Exact Mass294.00
IUPAC Name4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc([N+](=O)[O-])c(Cl)c2)ccn1
InChIInChI=1S/C12H7ClN2O5/c13-9-5-7(1-2-11(9)15(18)19)20-8-3-4-14-10(6-8)12(16)17/h1-6H,(H,16,17)
InChIKeyAEZXUQLXCAMOMY-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'}

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Related Compounds

6-(3-chloro-4-nitrophenoxy)pyrazine-2-carboxylic acid
CID 66458284
4-(4-hydroxyphenoxy)pyridine-2-carboxylic acid
CID 69017649
4-(3-chloro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 134333908
methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate
CID 23153479
methyl 4-(3-chloro-4-nitrophenoxy)benzoate
CID 174330621
4-(2,5-dichlorophenoxy)pyridine-2-carboxylic acid
CID 43325991
2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine
CID 62857419
5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid
CID 106502994
4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid
CID 61037967
4-(4-cyanophenoxy)pyridine-2-carboxylic acid
CID 43142929
2-(3-chloro-4-nitrophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 4649042
4-(2,3-dihydro-1H-inden-5-yloxy)pyridine-2-carboxylic acid
CID 43326034

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid (CID 62111596) is 4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid is O=C(O)c1cc(Oc2ccc([N+](=O)[O-])c(Cl)c2)ccn1.
What is the InChIKey of 4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid?
The InChIKey is AEZXUQLXCAMOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O5/c13-9-5-7(1-2-11(9)15(18)19)20-8-3-4-14-10(6-8)12(16)17/h1-6H,(H,16,17).
What are the key properties of 4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid?
4-(3-chloro-4-nitrophenoxy)pyridine-2-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-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 62111596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).