9-(azidomethyl)-10-methylanthracene

C16H13N3 — CID 123541544

IUPAC9-(azidomethyl)-10-methylanthracene
SMILESCc1c2ccccc2c(CN=[N+]=[N-])c2ccccc12
InChIInChI=1S/C16H13N3/c1-11-12-6-2-4-8-14(12)16(10-18-19-17)15-9-5-3-7-13(11)15/h2-9H,10H2,1H3
InChIKeyVSYNYDVOQNBCCJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP5.11
Rot. Bonds2

About 9-(azidomethyl)-10-methylanthracene

9-(azidomethyl)-10-methylanthracene (PubChem CID 123541544) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 9-(azidomethyl)-10-methylanthracene.

Molecular Properties

Compound Name9-(azidomethyl)-10-methylanthracene
PubChem CID123541544
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name9-(azidomethyl)-10-methylanthracene
SMILESCc1c2ccccc2c(CN=[N+]=[N-])c2ccccc12
InChIInChI=1S/C16H13N3/c1-11-12-6-2-4-8-14(12)16(10-18-19-17)15-9-5-3-7-13(11)15/h2-9H,10H2,1H3
InChIKeyVSYNYDVOQNBCCJ-UHFFFAOYSA-N
XLogP5.11
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.30
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(azidomethyl)-2-fluoronaphthalene
CID 134162348
6-(azidomethyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174537571
1,3,5-tris(azidomethyl)-2,4,6-triphenylbenzene
CID 174786446
2-(azidomethyl)-1,3,5-trimethylbenzene
CID 10631091
(E)-2,3-bis[(10-methylanthracen-9-yl)methylsulfanyl]but-2-enedinitrile
CID 101494131
3-(azidomethyl)-2,4,6-trimethylphenol
CID 151948155
9-(2-fluoroethyl)-10-methylanthracene
CID 13283739
9-butyl-10-methylanthracene
CID 22754688
9-(methoxymethyl)-10-methylanthracene
CID 12579234
1-(azidomethyl)-3-methylbenzene
CID 2736816
[3-(10-Methylanthracen-9-YL)propyl]silane
CID 78060770
1-(azidomethyl)-4-(2-methylphenyl)benzene
CID 59969178

Frequently Asked Questions

What is the IUPAC name of 9-(azidomethyl)-10-methylanthracene?
The IUPAC name of 9-(azidomethyl)-10-methylanthracene (CID 123541544) is 9-(azidomethyl)-10-methylanthracene.
What is the SMILES notation for 9-(azidomethyl)-10-methylanthracene?
The canonical SMILES for 9-(azidomethyl)-10-methylanthracene is Cc1c2ccccc2c(CN=[N+]=[N-])c2ccccc12.
What is the InChIKey of 9-(azidomethyl)-10-methylanthracene?
The InChIKey is VSYNYDVOQNBCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-11-12-6-2-4-8-14(12)16(10-18-19-17)15-9-5-3-7-13(11)15/h2-9H,10H2,1H3.
What are the key properties of 9-(azidomethyl)-10-methylanthracene?
9-(azidomethyl)-10-methylanthracene has a molecular weight of 247.30 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(azidomethyl)-10-methylanthracene is sourced from PubChem (CID 123541544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).