2-cyclopropyl-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridine

C19H23NO — CID 118445598

IUPAC2-cyclopropyl-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridine
SMILESCc1cc(OC(C)(C)C)ccc1-c1cccnc1C1CC1
InChIInChI=1S/C19H23NO/c1-13-12-15(21-19(2,3)4)9-10-16(13)17-6-5-11-20-18(17)14-7-8-14/h5-6,9-12,14H,7-8H2,1-4H3
InChIKeyIZIPQAVVNOYKAM-UHFFFAOYSA-N
MW281.40 g/mol
LogP5.11
Rot. Bonds3

About 2-cyclopropyl-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridine

2-cyclopropyl-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridine (PubChem CID 118445598) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridine
PubChem CID118445598
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-cyclopropyl-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridine
SMILESCc1cc(OC(C)(C)C)ccc1-c1cccnc1C1CC1
InChIInChI=1S/C19H23NO/c1-13-12-15(21-19(2,3)4)9-10-16(13)17-6-5-11-20-18(17)14-7-8-14/h5-6,9-12,14H,7-8H2,1-4H3
InChIKeyIZIPQAVVNOYKAM-UHFFFAOYSA-N
XLogP5.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.40
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridine?
The IUPAC name of 2-cyclopropyl-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridine (CID 118445598) is 2-cyclopropyl-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridine.
What is the SMILES notation for 2-cyclopropyl-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridine?
The canonical SMILES for 2-cyclopropyl-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridine is Cc1cc(OC(C)(C)C)ccc1-c1cccnc1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridine?
The InChIKey is IZIPQAVVNOYKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-12-15(21-19(2,3)4)9-10-16(13)17-6-5-11-20-18(17)14-7-8-14/h5-6,9-12,14H,7-8H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridine?
2-cyclopropyl-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridine has a molecular weight of 281.40 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridine is sourced from PubChem (CID 118445598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).