3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol

C13H18N2O — CID 170417496

IUPAC3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol
SMILESCc1cc(C2CC3CC2C(N)C3O)ccn1
InChIInChI=1S/C13H18N2O/c1-7-4-8(2-3-15-7)10-5-9-6-11(10)12(14)13(9)16/h2-4,9-13,16H,5-6,14H2,1H3
InChIKeyHGPBGWZOZDAMJU-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.20
Rot. Bonds1

About 3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol

3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 170417496) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID170417496
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol
SMILESCc1cc(C2CC3CC2C(N)C3O)ccn1
InChIInChI=1S/C13H18N2O/c1-7-4-8(2-3-15-7)10-5-9-6-11(10)12(14)13(9)16/h2-4,9-13,16H,5-6,14H2,1H3
InChIKeyHGPBGWZOZDAMJU-UHFFFAOYSA-N
XLogP1.20
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclopropylcyclopropyl)-2-methylpyridine
CID 173069598
6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 170416532
carbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol
CID 159844958
4-(3,4-dimethylcyclohexyl)-2-methylpyridine
CID 166863584
N-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide
CID 166828922
2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine
CID 146228482
1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethanamine
CID 121318842
3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119832843
(1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol
CID 10703299
N-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 170415111
2-methyl-4-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487324
2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid
CID 121318759

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol (CID 170417496) is 3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol is Cc1cc(C2CC3CC2C(N)C3O)ccn1.
What is the InChIKey of 3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is HGPBGWZOZDAMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-7-4-8(2-3-15-7)10-5-9-6-11(10)12(14)13(9)16/h2-4,9-13,16H,5-6,14H2,1H3.
What are the key properties of 3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol?
3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 218.30 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 170417496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).