4-chloro-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C10H5ClN2O — CID 102428432

IUPAC4-chloro-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESClc1cnc2oc3ncccc3c2c1
InChIInChI=1S/C10H5ClN2O/c11-6-4-8-7-2-1-3-12-9(7)14-10(8)13-5-6/h1-5H
InChIKeyUOWSPMZQCYSSKW-UHFFFAOYSA-N
MW204.62 g/mol
LogP3.03
Rot. Bonds

About 4-chloro-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-chloro-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 102428432) has the molecular formula C10H5ClN2O and a molecular weight of 204.62 g/mol. Its IUPAC name is 4-chloro-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-chloro-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID102428432
Molecular FormulaC10H5ClN2O
Molecular Weight204.62 g/mol
Exact Mass204.01
IUPAC Name4-chloro-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESClc1cnc2oc3ncccc3c2c1
InChIInChI=1S/C10H5ClN2O/c11-6-4-8-7-2-1-3-12-9(7)14-10(8)13-5-6/h1-5H
InChIKeyUOWSPMZQCYSSKW-UHFFFAOYSA-N
XLogP3.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine
CID 130353987
7-(3-chlorophenyl)-[1]benzofuro[2,3-b]pyridine
CID 155173552
CID 171736802
CID 171736802
8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 14638891
6-[3-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[3-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[3-[3-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine
CID 167645998
5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine
CID 166801450
2-ethyl-3-methylfuro[2,3-b]pyridine
CID 142876965
6-chloro-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine
CID 82337706
8-pyrazol-1-yl-[1]benzofuro[2,3-b]pyridine
CID 59858978
ethane;2-ethyl-3-methylfuro[2,3-b]pyridine
CID 142876964
3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158374542
N-phenyl-[1]benzofuro[2,3-b]pyridin-7-amine
CID 170177747

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-chloro-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 102428432) is 4-chloro-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-chloro-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-chloro-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Clc1cnc2oc3ncccc3c2c1.
What is the InChIKey of 4-chloro-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is UOWSPMZQCYSSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O/c11-6-4-8-7-2-1-3-12-9(7)14-10(8)13-5-6/h1-5H.
What are the key properties of 4-chloro-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-chloro-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 204.62 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 102428432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).