2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine

C13H17N — CID 102340250

IUPAC2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine
SMILESCc1cccc([C@H]2C[C@@H]3CC[C@H]2C3)n1
InChIInChI=1S/C13H17N/c1-9-3-2-4-13(14-9)12-8-10-5-6-11(12)7-10/h2-4,10-12H,5-8H2,1H3/t10-,11+,12+/m1/s1
InChIKeyMYCSYESRHJNZEB-WOPDTQHZSA-N
MW187.29 g/mol
LogP3.29
Rot. Bonds1

About 2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine

2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine (PubChem CID 102340250) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine
PubChem CID102340250
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine
SMILESCc1cccc([C@H]2C[C@@H]3CC[C@H]2C3)n1
InChIInChI=1S/C13H17N/c1-9-3-2-4-13(14-9)12-8-10-5-6-11(12)7-10/h2-4,10-12H,5-8H2,1H3/t10-,11+,12+/m1/s1
InChIKeyMYCSYESRHJNZEB-WOPDTQHZSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine with MolForge

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Related Compounds

2-(6-methyl-2-pyridinyl)cyclopentan-1-amine
CID 130045918
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 170751211
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
2-(2,4-dimethylphenyl)bicyclo[2.2.1]heptane
CID 15514590
2-(2-tert-butyl-3-methylphenyl)bicyclo[2.2.1]heptane
CID 169322208
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 79562379
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 11920813
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 79562678
5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine
CID 156655077
1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene
CID 153281935
(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
CID 101158229

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine?
The IUPAC name of 2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine (CID 102340250) is 2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine.
What is the SMILES notation for 2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine?
The canonical SMILES for 2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine is Cc1cccc([C@H]2C[C@@H]3CC[C@H]2C3)n1.
What is the InChIKey of 2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine?
The InChIKey is MYCSYESRHJNZEB-WOPDTQHZSA-N. The full InChI is InChI=1S/C13H17N/c1-9-3-2-4-13(14-9)12-8-10-5-6-11(12)7-10/h2-4,10-12H,5-8H2,1H3/t10-,11+,12+/m1/s1.
What are the key properties of 2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine?
2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine has a molecular weight of 187.29 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine is sourced from PubChem (CID 102340250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).