butyl formate;pyridine

C10H15NO2 — CID 172726080

IUPACbutyl formate;pyridine
SMILESCCCCOC=O.c1ccncc1
InChIInChI=1S/C5H5N.C5H10O2/c1-2-4-6-5-3-1;1-2-3-4-7-5-6/h1-5H;5H,2-4H2,1H3
InChIKeyHDZLDXHDTYWOBS-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.04
Rot. Bonds4

About butyl formate;pyridine

butyl formate;pyridine (PubChem CID 172726080) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is butyl formate;pyridine.

Molecular Properties

Compound Namebutyl formate;pyridine
PubChem CID172726080
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Namebutyl formate;pyridine
SMILESCCCCOC=O.c1ccncc1
InChIInChI=1S/C5H5N.C5H10O2/c1-2-4-6-5-3-1;1-2-3-4-7-5-6/h1-5H;5H,2-4H2,1H3
InChIKeyHDZLDXHDTYWOBS-UHFFFAOYSA-N
XLogP2.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzene;butyl formate;formic acid
CID 174830214
butyl formate;1H-imidazole
CID 175286553
hexacosyl formate
CID 87446465
potassium;hydride;pentyl formate
CID 173073840
benzene;ethyl formate;hexane
CID 174516093
decyl formate;hydrochloride
CID 174405844
CID 162323226
CID 162323226
2-butoxyethanol;pyridine
CID 68817670
hexane;propan-2-one;pyridine
CID 66842615
N-butylbutan-1-amine;pyridine
CID 163678267
butane;pyridine
CID 66630740
3-(butylamino)propyl formate
CID 87316464

Frequently Asked Questions

What is the IUPAC name of butyl formate;pyridine?
The IUPAC name of butyl formate;pyridine (CID 172726080) is butyl formate;pyridine.
What is the SMILES notation for butyl formate;pyridine?
The canonical SMILES for butyl formate;pyridine is CCCCOC=O.c1ccncc1.
What is the InChIKey of butyl formate;pyridine?
The InChIKey is HDZLDXHDTYWOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C5H10O2/c1-2-4-6-5-3-1;1-2-3-4-7-5-6/h1-5H;5H,2-4H2,1H3.
What are the key properties of butyl formate;pyridine?
butyl formate;pyridine has a molecular weight of 181.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl formate;pyridine is sourced from PubChem (CID 172726080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).