4-methylpyridine;3-pyridin-4-ylpropan-1-ol

C14H18N2O — CID 67786916

IUPAC4-methylpyridine;3-pyridin-4-ylpropan-1-ol
SMILESCc1ccncc1.OCCCc1ccncc1
InChIInChI=1S/C8H11NO.C6H7N/c10-7-1-2-8-3-5-9-6-4-8;1-6-2-4-7-5-3-6/h3-6,10H,1-2,7H2;2-5H,1H3
InChIKeyYSGRZDKGYUCJML-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.40
Rot. Bonds3

About 4-methylpyridine;3-pyridin-4-ylpropan-1-ol

4-methylpyridine;3-pyridin-4-ylpropan-1-ol (PubChem CID 67786916) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-methylpyridine;3-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name4-methylpyridine;3-pyridin-4-ylpropan-1-ol
PubChem CID67786916
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-methylpyridine;3-pyridin-4-ylpropan-1-ol
SMILESCc1ccncc1.OCCCc1ccncc1
InChIInChI=1S/C8H11NO.C6H7N/c10-7-1-2-8-3-5-9-6-4-8;1-6-2-4-7-5-3-6/h3-6,10H,1-2,7H2;2-5H,1H3
InChIKeyYSGRZDKGYUCJML-UHFFFAOYSA-N
XLogP2.40
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyridine;3-pyridin-4-ylpropan-1-ol?
The IUPAC name of 4-methylpyridine;3-pyridin-4-ylpropan-1-ol (CID 67786916) is 4-methylpyridine;3-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 4-methylpyridine;3-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 4-methylpyridine;3-pyridin-4-ylpropan-1-ol is Cc1ccncc1.OCCCc1ccncc1.
What is the InChIKey of 4-methylpyridine;3-pyridin-4-ylpropan-1-ol?
The InChIKey is YSGRZDKGYUCJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C6H7N/c10-7-1-2-8-3-5-9-6-4-8;1-6-2-4-7-5-3-6/h3-6,10H,1-2,7H2;2-5H,1H3.
What are the key properties of 4-methylpyridine;3-pyridin-4-ylpropan-1-ol?
4-methylpyridine;3-pyridin-4-ylpropan-1-ol has a molecular weight of 230.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyridine;3-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 67786916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).