2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine

C16H17NO — CID 19895611

IUPAC2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine
SMILESCC1(C)CC(c2ccccn2)c2ccccc2O1
InChIInChI=1S/C16H17NO/c1-16(2)11-13(14-8-5-6-10-17-14)12-7-3-4-9-15(12)18-16/h3-10,13H,11H2,1-2H3
InChIKeyNXUSMKWUASVPPO-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.77
Rot. Bonds1

About 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine

2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine (PubChem CID 19895611) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine.

Molecular Properties

Compound Name2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine
PubChem CID19895611
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine
SMILESCC1(C)CC(c2ccccn2)c2ccccc2O1
InChIInChI=1S/C16H17NO/c1-16(2)11-13(14-8-5-6-10-17-14)12-7-3-4-9-15(12)18-16/h3-10,13H,11H2,1-2H3
InChIKeyNXUSMKWUASVPPO-UHFFFAOYSA-N
XLogP3.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine?
The IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine (CID 19895611) is 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine.
What is the SMILES notation for 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine?
The canonical SMILES for 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine is CC1(C)CC(c2ccccn2)c2ccccc2O1.
What is the InChIKey of 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine?
The InChIKey is NXUSMKWUASVPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-16(2)11-13(14-8-5-6-10-17-14)12-7-3-4-9-15(12)18-16/h3-10,13H,11H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine?
2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine has a molecular weight of 239.32 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine is sourced from PubChem (CID 19895611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).