7-chloro-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine

C8H11ClN2O — CID 126555984

IUPAC7-chloro-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine
SMILESNC1CCOC2=CC(Cl)=CNC21
InChIInChI=1S/C8H11ClN2O/c9-5-3-7-8(11-4-5)6(10)1-2-12-7/h3-4,6,8,11H,1-2,10H2
InChIKeyGWWGGIUBMPGPQL-UHFFFAOYSA-N
MW186.64 g/mol
LogP0.67
Rot. Bonds

About 7-chloro-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine

7-chloro-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine (PubChem CID 126555984) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 7-chloro-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine.

Molecular Properties

Compound Name7-chloro-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine
PubChem CID126555984
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name7-chloro-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine
SMILESNC1CCOC2=CC(Cl)=CNC21
InChIInChI=1S/C8H11ClN2O/c9-5-3-7-8(11-4-5)6(10)1-2-12-7/h3-4,6,8,11H,1-2,10H2
InChIKeyGWWGGIUBMPGPQL-UHFFFAOYSA-N
XLogP0.67
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine?
The IUPAC name of 7-chloro-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine (CID 126555984) is 7-chloro-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine.
What is the SMILES notation for 7-chloro-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine?
The canonical SMILES for 7-chloro-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine is NC1CCOC2=CC(Cl)=CNC21.
What is the InChIKey of 7-chloro-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine?
The InChIKey is GWWGGIUBMPGPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-5-3-7-8(11-4-5)6(10)1-2-12-7/h3-4,6,8,11H,1-2,10H2.
What are the key properties of 7-chloro-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine?
7-chloro-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine has a molecular weight of 186.64 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine is sourced from PubChem (CID 126555984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).