2-(pyridin-4-ylmethyl)naphthalen-1-ol

C16H13NO — CID 15617862

IUPAC2-(pyridin-4-ylmethyl)naphthalen-1-ol
SMILESOc1c(Cc2ccncc2)ccc2ccccc12
InChIInChI=1S/C16H13NO/c18-16-14(11-12-7-9-17-10-8-12)6-5-13-3-1-2-4-15(13)16/h1-10,18H,11H2
InChIKeyVMEXOJDBHGJJSS-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.53
Rot. Bonds2

About 2-(pyridin-4-ylmethyl)naphthalen-1-ol

2-(pyridin-4-ylmethyl)naphthalen-1-ol (PubChem CID 15617862) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethyl)naphthalen-1-ol.

Molecular Properties

Compound Name2-(pyridin-4-ylmethyl)naphthalen-1-ol
PubChem CID15617862
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name2-(pyridin-4-ylmethyl)naphthalen-1-ol
SMILESOc1c(Cc2ccncc2)ccc2ccccc12
InChIInChI=1S/C16H13NO/c18-16-14(11-12-7-9-17-10-8-12)6-5-13-3-1-2-4-15(13)16/h1-10,18H,11H2
InChIKeyVMEXOJDBHGJJSS-UHFFFAOYSA-N
XLogP3.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethyl)naphthalen-1-ol?
The IUPAC name of 2-(pyridin-4-ylmethyl)naphthalen-1-ol (CID 15617862) is 2-(pyridin-4-ylmethyl)naphthalen-1-ol.
What is the SMILES notation for 2-(pyridin-4-ylmethyl)naphthalen-1-ol?
The canonical SMILES for 2-(pyridin-4-ylmethyl)naphthalen-1-ol is Oc1c(Cc2ccncc2)ccc2ccccc12.
What is the InChIKey of 2-(pyridin-4-ylmethyl)naphthalen-1-ol?
The InChIKey is VMEXOJDBHGJJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c18-16-14(11-12-7-9-17-10-8-12)6-5-13-3-1-2-4-15(13)16/h1-10,18H,11H2.
What are the key properties of 2-(pyridin-4-ylmethyl)naphthalen-1-ol?
2-(pyridin-4-ylmethyl)naphthalen-1-ol has a molecular weight of 235.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethyl)naphthalen-1-ol is sourced from PubChem (CID 15617862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).