7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol

C19H13BrCl2N4O3 — CID 160671418

IUPAC7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol
SMILESNC1=NC2(CO1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.Oc1ccc(Cl)nc1
InChIInChI=1S/C14H9BrClN3O2.C5H4ClNO/c15-7-1-2-10-8(3-7)14(6-20-13(17)19-14)9-4-12(16)18-5-11(9)21-10;6-5-2-1-4(8)3-7-5/h1-5H,6H2,(H2,17,19);1-3,8H
InChIKeyRMYZTMNEPIMGRX-UHFFFAOYSA-N
MW496.15 g/mol
LogP4.63
Rot. Bonds

About 7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol

7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol (PubChem CID 160671418) has the molecular formula C19H13BrCl2N4O3 and a molecular weight of 496.15 g/mol. Its IUPAC name is 7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol.

Molecular Properties

Compound Name7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol
PubChem CID160671418
Molecular FormulaC19H13BrCl2N4O3
Molecular Weight496.15 g/mol
Exact Mass493.95
IUPAC Name7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol
SMILESNC1=NC2(CO1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.Oc1ccc(Cl)nc1
InChIInChI=1S/C14H9BrClN3O2.C5H4ClNO/c15-7-1-2-10-8(3-7)14(6-20-13(17)19-14)9-4-12(16)18-5-11(9)21-10;6-5-2-1-4(8)3-7-5/h1-5H,6H2,(H2,17,19);1-3,8H
InChIKeyRMYZTMNEPIMGRX-UHFFFAOYSA-N
XLogP4.63
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.15
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 58465879
7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466232
(6S)-2-amino-7'-bromo-3'-chloro-3-methylspiro[5H-pyrimidine-6,5'-chromeno[2,3-c]pyridine]-4-one
CID 91819658
2-amino-7'-bromospiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol;2'-bromo-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine;tribromoborane
CID 158686493
7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 86709320
(4S)-3'-chloro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 86640739
7'-bromo-2'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 67383035
2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol
CID 58466141
(3S)-7'-bromo-3'-chlorospiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-c]pyridine]-5-amine
CID 141263181
(7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid
CID 89387174
7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol
CID 86761963
tert-butyl N-[(4S)-7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl]carbamate
CID 86658495

Frequently Asked Questions

What is the IUPAC name of 7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol?
The IUPAC name of 7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol (CID 160671418) is 7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol.
What is the SMILES notation for 7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol?
The canonical SMILES for 7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol is NC1=NC2(CO1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.Oc1ccc(Cl)nc1.
What is the InChIKey of 7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol?
The InChIKey is RMYZTMNEPIMGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O2.C5H4ClNO/c15-7-1-2-10-8(3-7)14(6-20-13(17)19-14)9-4-12(16)18-5-11(9)21-10;6-5-2-1-4(8)3-7-5/h1-5H,6H2,(H2,17,19);1-3,8H.
What are the key properties of 7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol?
7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol has a molecular weight of 496.15 g/mol, XLogP of 4.63, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol is sourced from PubChem (CID 160671418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).