pyridin-4-ylmethanol

C6H7NO — CID 11472

IUPACpyridin-4-ylmethanol
SMILESOCc1ccncc1
InChIInChI=1S/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2
InChIKeyPTMBWNZJOQBTBK-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.57
Rot. Bonds1

About pyridin-4-ylmethanol

pyridin-4-ylmethanol (PubChem CID 11472) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is pyridin-4-ylmethanol.

Molecular Properties

Compound Namepyridin-4-ylmethanol
PubChem CID11472
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Namepyridin-4-ylmethanol
SMILESOCc1ccncc1
InChIInChI=1S/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2
InChIKeyPTMBWNZJOQBTBK-UHFFFAOYSA-N
XLogP0.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethanol?
The IUPAC name of pyridin-4-ylmethanol (CID 11472) is pyridin-4-ylmethanol.
What is the SMILES notation for pyridin-4-ylmethanol?
The canonical SMILES for pyridin-4-ylmethanol is OCc1ccncc1.
What is the InChIKey of pyridin-4-ylmethanol?
The InChIKey is PTMBWNZJOQBTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2.
What are the key properties of pyridin-4-ylmethanol?
pyridin-4-ylmethanol has a molecular weight of 109.13 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethanol is sourced from PubChem (CID 11472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).