3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine

C14H13NO — CID 122202103

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
SMILESCc1ncccc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C14H13NO/c1-10-13(3-2-7-15-10)11-4-5-14-12(9-11)6-8-16-14/h2-5,7,9H,6,8H2,1H3
InChIKeySIUNTGFJYRHPAQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.99
Rot. Bonds1

About 3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine

3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine (PubChem CID 122202103) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
PubChem CID122202103
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
SMILESCc1ncccc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C14H13NO/c1-10-13(3-2-7-15-10)11-4-5-14-12(9-11)6-8-16-14/h2-5,7,9H,6,8H2,1H3
InChIKeySIUNTGFJYRHPAQ-UHFFFAOYSA-N
XLogP2.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
CID 82766457
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine
CID 105152090
2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole
CID 58947269
4-(2,3-dihydro-1-benzofuran-5-yl)-3-fluorophenol
CID 104545385
4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine
CID 105371530
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine
CID 61034297
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-iodo-6-methylpyrimidine
CID 66311652
2-methyl-6-(2-methyl-3-pyridinyl)quinoline
CID 90167611
ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 83142809
2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine
CID 157018415

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine (CID 122202103) is 3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine is Cc1ncccc1-c1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine?
The InChIKey is SIUNTGFJYRHPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-13(3-2-7-15-10)11-4-5-14-12(9-11)6-8-16-14/h2-5,7,9H,6,8H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine?
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine has a molecular weight of 211.26 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine is sourced from PubChem (CID 122202103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).