(1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C16H23NO2 — CID 10849014

IUPAC(1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2[C@@H](O)c1ccccn1
InChIInChI=1S/C16H23NO2/c1-15(2)10-7-8-16(15,3)14(19)12(10)13(18)11-6-4-5-9-17-11/h4-6,9-10,12-14,18-19H,7-8H2,1-3H3/t10-,12+,13+,14-,16+/m1/s1
InChIKeyDXSCRQUJBKPMKW-QUZFFSQCSA-N
MW261.36 g/mol
LogP2.55
Rot. Bonds2

About (1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

(1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 10849014) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID10849014
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2[C@@H](O)c1ccccn1
InChIInChI=1S/C16H23NO2/c1-15(2)10-7-8-16(15,3)14(19)12(10)13(18)11-6-4-5-9-17-11/h4-6,9-10,12-14,18-19H,7-8H2,1-3H3/t10-,12+,13+,14-,16+/m1/s1
InChIKeyDXSCRQUJBKPMKW-QUZFFSQCSA-N
XLogP2.55
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol
CID 102134758
(1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene
CID 14337792
(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
CID 51670363
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521
2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one
CID 86055982
1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol
CID 102377382
3-amino-1-(2,2-dimethylcyclopentyl)-2-pyridin-2-ylpropan-1-ol
CID 107185407
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol
CID 107185410
2-amino-1-cyclopropyl-2-pyridin-2-ylethanol
CID 82409953
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2-methyl-1-[(1S,2R,6S,7R)-7,10,10-trimethyl-4-pyridin-2-yl-3,5-diazatricyclo[5.2.1.02,6]dec-4-en-3-yl]propan-1-one
CID 101465479

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 10849014) is (1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2[C@@H](O)c1ccccn1.
What is the InChIKey of (1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is DXSCRQUJBKPMKW-QUZFFSQCSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(2)10-7-8-16(15,3)14(19)12(10)13(18)11-6-4-5-9-17-11/h4-6,9-10,12-14,18-19H,7-8H2,1-3H3/t10-,12+,13+,14-,16+/m1/s1.
What are the key properties of (1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
(1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 261.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 10849014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).