3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid

C12H7ClN2O5 — CID 61030638

IUPAC3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Oc2ccccc2[N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H7ClN2O5/c13-7-5-6-10(14-11(7)12(16)17)20-9-4-2-1-3-8(9)15(18)19/h1-6H,(H,16,17)
InChIKeyLYHMTXMQUOEEKU-UHFFFAOYSA-N
MW294.65 g/mol
LogP3.13
Rot. Bonds4

About 3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid

3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid (PubChem CID 61030638) has the molecular formula C12H7ClN2O5 and a molecular weight of 294.65 g/mol. Its IUPAC name is 3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid
PubChem CID61030638
Molecular FormulaC12H7ClN2O5
Molecular Weight294.65 g/mol
Exact Mass294.00
IUPAC Name3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Oc2ccccc2[N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H7ClN2O5/c13-7-5-6-10(14-11(7)12(16)17)20-9-4-2-1-3-8(9)15(18)19/h1-6H,(H,16,17)
InChIKeyLYHMTXMQUOEEKU-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

3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid
CID 29033059
5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916895
3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid
CID 29286211
2-(2-nitrophenoxy)benzoic acid
CID 19922477
6-(2-nitrophenoxy)pyridine-2-carbonitrile
CID 64596158
2-tert-butyl-4-chloro-6-(2-nitrophenoxy)pyrimidine
CID 80943264
3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid
CID 79816029
5-(2-nitrophenoxy)pyridine-2-carboxylic acid
CID 113321699
2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine
CID 102715235
6-(2-nitrophenoxy)pyridazin-3-amine
CID 14294312
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
1,3,5-trichloro-2-(2-nitrophenoxy)benzene
CID 2306205

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid (CID 61030638) is 3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid is O=C(O)c1nc(Oc2ccccc2[N+](=O)[O-])ccc1Cl.
What is the InChIKey of 3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid?
The InChIKey is LYHMTXMQUOEEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O5/c13-7-5-6-10(14-11(7)12(16)17)20-9-4-2-1-3-8(9)15(18)19/h1-6H,(H,16,17).
What are the key properties of 3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid?
3-chloro-6-(2-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 3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 61030638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).