5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid

C9H7N3O4 — CID 105064288

IUPAC5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESCOc1cnccc1-c1nnc(C(=O)O)o1
InChIInChI=1S/C9H7N3O4/c1-15-6-4-10-3-2-5(6)7-11-12-8(16-7)9(13)14/h2-4H,1H3,(H,13,14)
InChIKeyFFDFNQIYOOKNOQ-UHFFFAOYSA-N
MW221.17 g/mol
LogP0.84
Rot. Bonds3

About 5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid

5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 105064288) has the molecular formula C9H7N3O4 and a molecular weight of 221.17 g/mol. Its IUPAC name is 5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID105064288
Molecular FormulaC9H7N3O4
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESCOc1cnccc1-c1nnc(C(=O)O)o1
InChIInChI=1S/C9H7N3O4/c1-15-6-4-10-3-2-5(6)7-11-12-8(16-7)9(13)14/h2-4H,1H3,(H,13,14)
InChIKeyFFDFNQIYOOKNOQ-UHFFFAOYSA-N
XLogP0.84
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619460
3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 105064429
N-[2-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 105064451
2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid
CID 139447771
5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391733
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700
4-(3-methoxy-6-methyl-2-pyridinyl)pyridine-3-carboxylic acid
CID 175489276
3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 112694211
4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53229506
4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212644
(3-methoxy-4-pyridinyl) carbamate
CID 90285344
N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391670

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid (CID 105064288) is 5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid is COc1cnccc1-c1nnc(C(=O)O)o1.
What is the InChIKey of 5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is FFDFNQIYOOKNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4/c1-15-6-4-10-3-2-5(6)7-11-12-8(16-7)9(13)14/h2-4H,1H3,(H,13,14).
What are the key properties of 5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid?
5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 221.17 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 105064288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).