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

C16H13NO — CID 16742892

IUPAC1-(pyridin-4-ylmethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1Cc1ccncc1
InChIInChI=1S/C16H13NO/c18-16-6-5-13-3-1-2-4-14(13)15(16)11-12-7-9-17-10-8-12/h1-10,18H,11H2
InChIKeyMRLJHIVBWDPMCU-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.53
Rot. Bonds2

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

1-(pyridin-4-ylmethyl)naphthalen-2-ol (PubChem CID 16742892) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)naphthalen-2-ol
PubChem CID16742892
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name1-(pyridin-4-ylmethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1Cc1ccncc1
InChIInChI=1S/C16H13NO/c18-16-6-5-13-3-1-2-4-14(13)15(16)11-12-7-9-17-10-8-12/h1-10,18H,11H2
InChIKeyMRLJHIVBWDPMCU-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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Related Compounds

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Isoquinolin-5-ol
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NoName_714
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CU-CPT9b
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2-Hydroxy-1-naphthylaldehyde isonicotinoyl hydrazone
CID 135408575
US9682910, 4-(Pyridin-3yl)benzene-1,3-diol (3)
CID 22001174
N'-[(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazide
CID 4491
8-Hydroxyisoquinoline
CID 135441711
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)naphthalen-2-ol?
The IUPAC name of 1-(pyridin-4-ylmethyl)naphthalen-2-ol (CID 16742892) is 1-(pyridin-4-ylmethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)naphthalen-2-ol?
The canonical SMILES for 1-(pyridin-4-ylmethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1Cc1ccncc1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)naphthalen-2-ol?
The InChIKey is MRLJHIVBWDPMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c18-16-6-5-13-3-1-2-4-14(13)15(16)11-12-7-9-17-10-8-12/h1-10,18H,11H2.
What are the key properties of 1-(pyridin-4-ylmethyl)naphthalen-2-ol?
1-(pyridin-4-ylmethyl)naphthalen-2-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 1-(pyridin-4-ylmethyl)naphthalen-2-ol is sourced from PubChem (CID 16742892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).