carbanide;6-methyl-3-phenylimidazo[4,5-b]pyridine;yttrium(3+)

C14H13N3Y+ — CID 20720945

IUPACcarbanide;6-methyl-3-phenylimidazo[4,5-b]pyridine;yttrium(3+)
SMILESCc1cnc2c(c1)ncn2-c1c[c-]ccc1.[CH3-].[Y+3]
InChIInChI=1S/C13H10N3.CH3.Y/c1-10-7-12-13(14-8-10)16(9-15-12)11-5-3-2-4-6-11;;/h2-3,5-9H,1H3;1H3;/q2*-1;+3
InChIKeyKJMRSIBVEASYSM-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.98
Rot. Bonds1

About carbanide;6-methyl-3-phenylimidazo[4,5-b]pyridine;yttrium(3+)

carbanide;6-methyl-3-phenylimidazo[4,5-b]pyridine;yttrium(3+) (PubChem CID 20720945) has the molecular formula C14H13N3Y+ and a molecular weight of 312.19 g/mol. Its IUPAC name is carbanide;6-methyl-3-phenylimidazo[4,5-b]pyridine;yttrium(3+).

Molecular Properties

Compound Namecarbanide;6-methyl-3-phenylimidazo[4,5-b]pyridine;yttrium(3+)
PubChem CID20720945
Molecular FormulaC14H13N3Y+
Molecular Weight312.19 g/mol
Exact Mass312.02
IUPAC Namecarbanide;6-methyl-3-phenylimidazo[4,5-b]pyridine;yttrium(3+)
SMILESCc1cnc2c(c1)ncn2-c1c[c-]ccc1.[CH3-].[Y+3]
InChIInChI=1S/C13H10N3.CH3.Y/c1-10-7-12-13(14-8-10)16(9-15-12)11-5-3-2-4-6-11;;/h2-3,5-9H,1H3;1H3;/q2*-1;+3
InChIKeyKJMRSIBVEASYSM-UHFFFAOYSA-N
XLogP2.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

[4-(6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanamine
CID 141304295
3-phenyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67191628
carbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium
CID 58883381
2-chloro-3,6-dimethylimidazo[4,5-b]pyridine
CID 14929597
9-(3,5-dimethylphenyl)purine
CID 20740846
5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline
CID 82512845
2-(6-methylimidazo[4,5-b]pyridin-3-yl)acetic acid
CID 82061378
3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline
CID 143706847
2-(2,4-dimethylphenyl)-3,6-dimethylimidazo[4,5-b]pyridine
CID 129215296
methylbenzene;tungsten
CID 58806185
3-[6-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenol
CID 22727960
5-[(6-methylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid
CID 82061397

Frequently Asked Questions

What is the IUPAC name of carbanide;6-methyl-3-phenylimidazo[4,5-b]pyridine;yttrium(3+)?
The IUPAC name of carbanide;6-methyl-3-phenylimidazo[4,5-b]pyridine;yttrium(3+) (CID 20720945) is carbanide;6-methyl-3-phenylimidazo[4,5-b]pyridine;yttrium(3+).
What is the SMILES notation for carbanide;6-methyl-3-phenylimidazo[4,5-b]pyridine;yttrium(3+)?
The canonical SMILES for carbanide;6-methyl-3-phenylimidazo[4,5-b]pyridine;yttrium(3+) is Cc1cnc2c(c1)ncn2-c1c[c-]ccc1.[CH3-].[Y+3].
What is the InChIKey of carbanide;6-methyl-3-phenylimidazo[4,5-b]pyridine;yttrium(3+)?
The InChIKey is KJMRSIBVEASYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N3.CH3.Y/c1-10-7-12-13(14-8-10)16(9-15-12)11-5-3-2-4-6-11;;/h2-3,5-9H,1H3;1H3;/q2*-1;+3.
What are the key properties of carbanide;6-methyl-3-phenylimidazo[4,5-b]pyridine;yttrium(3+)?
carbanide;6-methyl-3-phenylimidazo[4,5-b]pyridine;yttrium(3+) has a molecular weight of 312.19 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;6-methyl-3-phenylimidazo[4,5-b]pyridine;yttrium(3+) is sourced from PubChem (CID 20720945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).