5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine

C16H15NO2 — CID 166804417

IUPAC5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
SMILESCc1ccc(Oc2cccc3c2C2(CC2)CO3)nc1
InChIInChI=1S/C16H15NO2/c1-11-5-6-14(17-9-11)19-13-4-2-3-12-15(13)16(7-8-16)10-18-12/h2-6,9H,7-8,10H2,1H3
InChIKeyAIFPIVCQVMJTFE-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.61
Rot. Bonds2

About 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine

5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine (PubChem CID 166804417) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine.

Molecular Properties

Compound Name5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
PubChem CID166804417
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
SMILESCc1ccc(Oc2cccc3c2C2(CC2)CO3)nc1
InChIInChI=1S/C16H15NO2/c1-11-5-6-14(17-9-11)19-13-4-2-3-12-15(13)16(7-8-16)10-18-12/h2-6,9H,7-8,10H2,1H3
InChIKeyAIFPIVCQVMJTFE-UHFFFAOYSA-N
XLogP3.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine
CID 167462490
3-N-methyl-3-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-1H-pyrrole-2,3-diamine
CID 167462398
2-N,4-dimethyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine;formaldehyde
CID 167462472
4-N,2-dimethyl-4-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyrimidine-4,5-diamine;formaldehyde
CID 167462485
iron;1-methyl-3-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyrazole-3,4-diamine
CID 175845402
9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine
CID 175893549
1-methyl-3-N-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)pyrazole-3,4-diamine
CID 167462466
(5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione
CID 146486754
2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
CID 145332594
N-(1-methyl-4-nitropyrazol-3-yl)-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-amine
CID 167462480
3-[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 57410331
tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid
CID 86698427

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine?
The IUPAC name of 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine (CID 166804417) is 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine.
What is the SMILES notation for 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine?
The canonical SMILES for 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine is Cc1ccc(Oc2cccc3c2C2(CC2)CO3)nc1.
What is the InChIKey of 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine?
The InChIKey is AIFPIVCQVMJTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-5-6-14(17-9-11)19-13-4-2-3-12-15(13)16(7-8-16)10-18-12/h2-6,9H,7-8,10H2,1H3.
What are the key properties of 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine?
5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine has a molecular weight of 253.30 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine is sourced from PubChem (CID 166804417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).