3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide

C12H15ClN4O2 — CID 80732430

IUPAC3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide
SMILESNNc1ccc(Cl)c(C(=O)NC2CC3CCC2O3)n1
InChIInChI=1S/C12H15ClN4O2/c13-7-2-4-10(17-14)16-11(7)12(18)15-8-5-6-1-3-9(8)19-6/h2,4,6,8-9H,1,3,5,14H2,(H,15,18)(H,16,17)
InChIKeyGGRPCAXWZSAIGC-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.07
Rot. Bonds3

About 3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide

3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide (PubChem CID 80732430) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide
PubChem CID80732430
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide
SMILESNNc1ccc(Cl)c(C(=O)NC2CC3CCC2O3)n1
InChIInChI=1S/C12H15ClN4O2/c13-7-2-4-10(17-14)16-11(7)12(18)15-8-5-6-1-3-9(8)19-6/h2,4,6,8-9H,1,3,5,14H2,(H,15,18)(H,16,17)
InChIKeyGGRPCAXWZSAIGC-UHFFFAOYSA-N
XLogP1.07
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide (CID 80732430) is 3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide is NNc1ccc(Cl)c(C(=O)NC2CC3CCC2O3)n1.
What is the InChIKey of 3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide?
The InChIKey is GGRPCAXWZSAIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c13-7-2-4-10(17-14)16-11(7)12(18)15-8-5-6-1-3-9(8)19-6/h2,4,6,8-9H,1,3,5,14H2,(H,15,18)(H,16,17).
What are the key properties of 3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide?
3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide has a molecular weight of 282.73 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 80732430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).