butanoic acid;pyridin-2-ylmethanol

C10H15NO3 — CID 21117383

IUPACbutanoic acid;pyridin-2-ylmethanol
SMILESCCCC(=O)O.OCc1ccccn1
InChIInChI=1S/C6H7NO.C4H8O2/c8-5-6-3-1-2-4-7-6;1-2-3-4(5)6/h1-4,8H,5H2;2-3H2,1H3,(H,5,6)
InChIKeyBQHDCAZBCWBMME-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.45
Rot. Bonds3

About butanoic acid;pyridin-2-ylmethanol

butanoic acid;pyridin-2-ylmethanol (PubChem CID 21117383) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is butanoic acid;pyridin-2-ylmethanol.

Molecular Properties

Compound Namebutanoic acid;pyridin-2-ylmethanol
PubChem CID21117383
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namebutanoic acid;pyridin-2-ylmethanol
SMILESCCCC(=O)O.OCc1ccccn1
InChIInChI=1S/C6H7NO.C4H8O2/c8-5-6-3-1-2-4-7-6;1-2-3-4(5)6/h1-4,8H,5H2;2-3H2,1H3,(H,5,6)
InChIKeyBQHDCAZBCWBMME-UHFFFAOYSA-N
XLogP1.45
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze butanoic acid;pyridin-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;pyridin-2-ylmethanol
CID 91461493
pyridin-2-ylmethanol;vanadium
CID 176962038
2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol
CID 70556575
acetic acid;2-ethylpyridine
CID 70072313
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
CID 131857449
CID 131857449
5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997
2-aminopentanedioic acid;2-ethylpyridine
CID 174937923
1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
CID 62043779
ethane;2-ethylpyridine;propan-2-one
CID 91062133
tetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate
CID 139078746

Frequently Asked Questions

What is the IUPAC name of butanoic acid;pyridin-2-ylmethanol?
The IUPAC name of butanoic acid;pyridin-2-ylmethanol (CID 21117383) is butanoic acid;pyridin-2-ylmethanol.
What is the SMILES notation for butanoic acid;pyridin-2-ylmethanol?
The canonical SMILES for butanoic acid;pyridin-2-ylmethanol is CCCC(=O)O.OCc1ccccn1.
What is the InChIKey of butanoic acid;pyridin-2-ylmethanol?
The InChIKey is BQHDCAZBCWBMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C4H8O2/c8-5-6-3-1-2-4-7-6;1-2-3-4(5)6/h1-4,8H,5H2;2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid;pyridin-2-ylmethanol?
butanoic acid;pyridin-2-ylmethanol has a molecular weight of 197.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;pyridin-2-ylmethanol is sourced from PubChem (CID 21117383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).