2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid

C11H11ClN4O3 — CID 114186360

IUPAC2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
SMILESCc1nc(CCNc2cc(C(=O)O)cc(Cl)n2)no1
InChIInChI=1S/C11H11ClN4O3/c1-6-14-9(16-19-6)2-3-13-10-5-7(11(17)18)4-8(12)15-10/h4-5H,2-3H2,1H3,(H,13,15)(H,17,18)
InChIKeyOPOUWAXQXPVOFN-UHFFFAOYSA-N
MW282.69 g/mol
LogP1.78
Rot. Bonds5

About 2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid

2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 114186360) has the molecular formula C11H11ClN4O3 and a molecular weight of 282.69 g/mol. Its IUPAC name is 2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
PubChem CID114186360
Molecular FormulaC11H11ClN4O3
Molecular Weight282.69 g/mol
Exact Mass282.05
IUPAC Name2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
SMILESCc1nc(CCNc2cc(C(=O)O)cc(Cl)n2)no1
InChIInChI=1S/C11H11ClN4O3/c1-6-14-9(16-19-6)2-3-13-10-5-7(11(17)18)4-8(12)15-10/h4-5H,2-3H2,1H3,(H,13,15)(H,17,18)
InChIKeyOPOUWAXQXPVOFN-UHFFFAOYSA-N
XLogP1.78
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106421504
5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 114186371
2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid
CID 43166600
2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104952518
3-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 114186370
2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43553797
2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 43546272
2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 106105316
2-[(4-amino-4-oxobutyl)amino]-6-chloropyridine-4-carboxylic acid
CID 60864506
2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
CID 43552562
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617465
2-chloro-6-(pent-4-ynylamino)pyridine-4-carboxylic acid
CID 106222382

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid (CID 114186360) is 2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid is Cc1nc(CCNc2cc(C(=O)O)cc(Cl)n2)no1.
What is the InChIKey of 2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is OPOUWAXQXPVOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3/c1-6-14-9(16-19-6)2-3-13-10-5-7(11(17)18)4-8(12)15-10/h4-5H,2-3H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid?
2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 282.69 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114186360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).