CID 59879728

C18H12AlN3O — CID 59879728

IUPAC—
SMILES[Al]Oc1ccccc1-c1nc2cccnc2n1-c1ccccc1
InChIInChI=1S/C18H13N3O.Al/c22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;/h1-12,22H;/q;+1/p-1
InChIKeyUAFJVGIMECNKAO-UHFFFAOYSA-M
MW313.30 g/mol
LogP3.55
Rot. Bonds3

About CID 59879728

CID 59879728 (PubChem CID 59879728) has the molecular formula C18H12AlN3O and a molecular weight of 313.30 g/mol.

Molecular Properties

Compound NameCID 59879728
PubChem CID59879728
Molecular FormulaC18H12AlN3O
Molecular Weight313.30 g/mol
Exact Mass313.08
IUPAC Name—
SMILES[Al]Oc1ccccc1-c1nc2cccnc2n1-c1ccccc1
InChIInChI=1S/C18H13N3O.Al/c22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;/h1-12,22H;/q;+1/p-1
InChIKeyUAFJVGIMECNKAO-UHFFFAOYSA-M
XLogP3.55
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 58803464
CID 58803464
3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867
CID 58803437
CID 58803437
2-(2-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 83430661
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345186
2-[3-fluoro-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391315
3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine
CID 59336473
2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790
3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 23391355
2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391310
CID 58858980
CID 58858980
3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 67312812

Frequently Asked Questions

What is the IUPAC name of CID 59879728?
The IUPAC name of CID 59879728 (CID 59879728) is not available.
What is the SMILES notation for CID 59879728?
The canonical SMILES for CID 59879728 is [Al]Oc1ccccc1-c1nc2cccnc2n1-c1ccccc1.
What is the InChIKey of CID 59879728?
The InChIKey is UAFJVGIMECNKAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13N3O.Al/c22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;/h1-12,22H;/q;+1/p-1.
What are the key properties of CID 59879728?
CID 59879728 has a molecular weight of 313.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59879728 is sourced from PubChem (CID 59879728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).