N-(6-chloro-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine

C11H7ClN4O — CID 46937929

IUPACN-(6-chloro-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESClc1ccc(Nc2noc3ncccc23)cn1
InChIInChI=1S/C11H7ClN4O/c12-9-4-3-7(6-14-9)15-10-8-2-1-5-13-11(8)17-16-10/h1-6H,(H,15,16)
InChIKeyDEHCQIVMMNZZEC-UHFFFAOYSA-N
MW246.66 g/mol
LogP3.01
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine

N-(6-chloro-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine (PubChem CID 46937929) has the molecular formula C11H7ClN4O and a molecular weight of 246.66 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine
PubChem CID46937929
Molecular FormulaC11H7ClN4O
Molecular Weight246.66 g/mol
Exact Mass246.03
IUPAC NameN-(6-chloro-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESClc1ccc(Nc2noc3ncccc23)cn1
InChIInChI=1S/C11H7ClN4O/c12-9-4-3-7(6-14-9)15-10-8-2-1-5-13-11(8)17-16-10/h1-6H,(H,15,16)
InChIKeyDEHCQIVMMNZZEC-UHFFFAOYSA-N
XLogP3.01
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The IUPAC name of N-(6-chloro-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine (CID 46937929) is N-(6-chloro-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine is Clc1ccc(Nc2noc3ncccc23)cn1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The InChIKey is DEHCQIVMMNZZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O/c12-9-4-3-7(6-14-9)15-10-8-2-1-5-13-11(8)17-16-10/h1-6H,(H,15,16).
What are the key properties of N-(6-chloro-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine?
N-(6-chloro-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine has a molecular weight of 246.66 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 46937929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).