2-[4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-pyridinyl]acetonitrile

C15H18N2O2 — CID 21221205

IUPAC2-[4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1cnc(CC#N)cc1OC1CC2CCC1C2
InChIInChI=1S/C15H18N2O2/c1-18-15-9-17-12(4-5-16)8-14(15)19-13-7-10-2-3-11(13)6-10/h8-11,13H,2-4,6-7H2,1H3
InChIKeyUSMFTRZZQPTRPO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.72
Rot. Bonds4

About 2-[4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-pyridinyl]acetonitrile

2-[4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-pyridinyl]acetonitrile (PubChem CID 21221205) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-pyridinyl]acetonitrile
PubChem CID21221205
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1cnc(CC#N)cc1OC1CC2CCC1C2
InChIInChI=1S/C15H18N2O2/c1-18-15-9-17-12(4-5-16)8-14(15)19-13-7-10-2-3-11(13)6-10/h8-11,13H,2-4,6-7H2,1H3
InChIKeyUSMFTRZZQPTRPO-UHFFFAOYSA-N
XLogP2.72
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-pyridinyl]acetonitrile (CID 21221205) is 2-[4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-pyridinyl]acetonitrile is COc1cnc(CC#N)cc1OC1CC2CCC1C2.
What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-pyridinyl]acetonitrile?
The InChIKey is USMFTRZZQPTRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-15-9-17-12(4-5-16)8-14(15)19-13-7-10-2-3-11(13)6-10/h8-11,13H,2-4,6-7H2,1H3.
What are the key properties of 2-[4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-pyridinyl]acetonitrile?
2-[4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-pyridinyl]acetonitrile has a molecular weight of 258.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-pyridinyl]acetonitrile is sourced from PubChem (CID 21221205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).