4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine

C8H8BrClN2O — CID 178157355

IUPAC4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
SMILESNc1c(Cl)nc2c(c1Br)COCC2
InChIInChI=1S/C8H8BrClN2O/c9-6-4-3-13-2-1-5(4)12-8(10)7(6)11/h1-3,11H2
InChIKeyHFVHOLDCSJWNAR-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.15
Rot. Bonds

About 4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine

4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine (PubChem CID 178157355) has the molecular formula C8H8BrClN2O and a molecular weight of 263.52 g/mol. Its IUPAC name is 4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
PubChem CID178157355
Molecular FormulaC8H8BrClN2O
Molecular Weight263.52 g/mol
Exact Mass261.95
IUPAC Name4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
SMILESNc1c(Cl)nc2c(c1Br)COCC2
InChIInChI=1S/C8H8BrClN2O/c9-6-4-3-13-2-1-5(4)12-8(10)7(6)11/h1-3,11H2
InChIKeyHFVHOLDCSJWNAR-UHFFFAOYSA-N
XLogP2.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine?
The IUPAC name of 4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine (CID 178157355) is 4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine.
What is the SMILES notation for 4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine?
The canonical SMILES for 4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine is Nc1c(Cl)nc2c(c1Br)COCC2.
What is the InChIKey of 4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine?
The InChIKey is HFVHOLDCSJWNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O/c9-6-4-3-13-2-1-5(4)12-8(10)7(6)11/h1-3,11H2.
What are the key properties of 4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine?
4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine has a molecular weight of 263.52 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine is sourced from PubChem (CID 178157355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).