2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine

C17H21NO — CID 162398238

IUPAC2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine
SMILESCCC[C@@H](C)c1cc(OC)cc(-c2ccccn2)c1
InChIInChI=1S/C17H21NO/c1-4-7-13(2)14-10-15(12-16(11-14)19-3)17-8-5-6-9-18-17/h5-6,8-13H,4,7H2,1-3H3/t13-/m1/s1
InChIKeyNXTJJTTWUPPSLI-CYBMUJFWSA-N
MW255.36 g/mol
LogP4.66
Rot. Bonds5

About 2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine

2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine (PubChem CID 162398238) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine
PubChem CID162398238
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine
SMILESCCC[C@@H](C)c1cc(OC)cc(-c2ccccn2)c1
InChIInChI=1S/C17H21NO/c1-4-7-13(2)14-10-15(12-16(11-14)19-3)17-8-5-6-9-18-17/h5-6,8-13H,4,7H2,1-3H3/t13-/m1/s1
InChIKeyNXTJJTTWUPPSLI-CYBMUJFWSA-N
XLogP4.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 76764597
5-methoxy-2-pyridin-2-ylpyridine
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4-[4-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122221010
3-methoxy-5-pentan-2-ylbenzonitrile
CID 22134597
2-methoxy-4-pentan-2-ylpyridine
CID 155069578
2-(3-propan-2-yloxyphenyl)pyridine
CID 70320352
2-[3-[3-(4-hexan-2-ylphenyl)-5-(4-octan-3-ylphenyl)phenoxy]phenyl]pyridine
CID 157200367
ethane;3-methylhexane;2-(3-methylphenyl)pyridine
CID 142164843
2-[4-(2-methylpropoxy)phenyl]pyridine
CID 57293788
2-[3-(3-propan-2-ylphenyl)phenyl]pyridine
CID 161030255
(2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one
CID 143032683

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine?
The IUPAC name of 2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine (CID 162398238) is 2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine.
What is the SMILES notation for 2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine?
The canonical SMILES for 2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine is CCC[C@@H](C)c1cc(OC)cc(-c2ccccn2)c1.
What is the InChIKey of 2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine?
The InChIKey is NXTJJTTWUPPSLI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-7-13(2)14-10-15(12-16(11-14)19-3)17-8-5-6-9-18-17/h5-6,8-13H,4,7H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine?
2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine has a molecular weight of 255.36 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine is sourced from PubChem (CID 162398238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).