8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile

C20H17GeN3O — CID 170521520

IUPAC8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile
SMILESC[Ge](C)(C)c1ccnc(-c2cccc3c2oc2nc(C#N)ccc23)c1
InChIInChI=1S/C20H17GeN3O/c1-21(2,3)13-9-10-23-18(11-13)17-6-4-5-15-16-8-7-14(12-22)24-20(16)25-19(15)17/h4-11H,1-3H3
InChIKeyNWKUNCQVOGMSGW-UHFFFAOYSA-N
MW387.99 g/mol
LogP4.46
Rot. Bonds2

About 8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile

8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile (PubChem CID 170521520) has the molecular formula C20H17GeN3O and a molecular weight of 387.99 g/mol. Its IUPAC name is 8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile
PubChem CID170521520
Molecular FormulaC20H17GeN3O
Molecular Weight387.99 g/mol
Exact Mass389.06
IUPAC Name8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile
SMILESC[Ge](C)(C)c1ccnc(-c2cccc3c2oc2nc(C#N)ccc23)c1
InChIInChI=1S/C20H17GeN3O/c1-21(2,3)13-9-10-23-18(11-13)17-6-4-5-15-16-8-7-14(12-22)24-20(16)25-19(15)17/h4-11H,1-3H3
InChIKeyNWKUNCQVOGMSGW-UHFFFAOYSA-N
XLogP4.46
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.99
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121594
8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 155612290
2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121498
8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155610691
8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121582
2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791495
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390
2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611638
2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611964
2-(3-fluorophenyl)-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155612353
8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine
CID 158125886

Frequently Asked Questions

What is the IUPAC name of 8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile (CID 170521520) is 8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile is C[Ge](C)(C)c1ccnc(-c2cccc3c2oc2nc(C#N)ccc23)c1.
What is the InChIKey of 8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile?
The InChIKey is NWKUNCQVOGMSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17GeN3O/c1-21(2,3)13-9-10-23-18(11-13)17-6-4-5-15-16-8-7-14(12-22)24-20(16)25-19(15)17/h4-11H,1-3H3.
What are the key properties of 8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile?
8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile has a molecular weight of 387.99 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 170521520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).