[5-(2-methylpropyl)-2-pyridinyl] formate

C10H13NO2 — CID 172512875

IUPAC[5-(2-methylpropyl)-2-pyridinyl] formate
SMILESCC(C)Cc1ccc(OC=O)nc1
InChIInChI=1S/C10H13NO2/c1-8(2)5-9-3-4-10(11-6-9)13-7-12/h3-4,6-8H,5H2,1-2H3
InChIKeyXCMUPYYAFTVEME-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.82
Rot. Bonds4

About [5-(2-methylpropyl)-2-pyridinyl] formate

[5-(2-methylpropyl)-2-pyridinyl] formate (PubChem CID 172512875) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is [5-(2-methylpropyl)-2-pyridinyl] formate.

Molecular Properties

Compound Name[5-(2-methylpropyl)-2-pyridinyl] formate
PubChem CID172512875
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name[5-(2-methylpropyl)-2-pyridinyl] formate
SMILESCC(C)Cc1ccc(OC=O)nc1
InChIInChI=1S/C10H13NO2/c1-8(2)5-9-3-4-10(11-6-9)13-7-12/h3-4,6-8H,5H2,1-2H3
InChIKeyXCMUPYYAFTVEME-UHFFFAOYSA-N
XLogP1.82
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [5-(2-methylpropyl)-2-pyridinyl] formate 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

2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane
CID 169136578
(5-amino-2-pyridinyl) formate
CID 58116290
5-(2-methylpropyl)pyrimidine-2-carbaldehyde
CID 163243316
2-ethyl-5-(2-methylpropyl)pyridine
CID 126548709
(5-propan-2-ylpyrazin-2-yl) formate
CID 126551955
methane;5-(2-methylpropyl)-2-propan-2-ylpyridine
CID 158292296
5-(2-methylpropyl)-2-pyrrolidin-1-ylpyridine
CID 59000961
2-(2-methylphenyl)-5-(2-methylpropyl)pyridine
CID 129095802
2-(4-methylphenyl)-5-(2-methylpropyl)pyridine
CID 71106004
N-[(6-but-3-enoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62287716
5-(2-methylpropyl)-2-prop-1-en-2-ylpyridine
CID 146203799
2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene
CID 161342244

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-2-pyridinyl] formate?
The IUPAC name of [5-(2-methylpropyl)-2-pyridinyl] formate (CID 172512875) is [5-(2-methylpropyl)-2-pyridinyl] formate.
What is the SMILES notation for [5-(2-methylpropyl)-2-pyridinyl] formate?
The canonical SMILES for [5-(2-methylpropyl)-2-pyridinyl] formate is CC(C)Cc1ccc(OC=O)nc1.
What is the InChIKey of [5-(2-methylpropyl)-2-pyridinyl] formate?
The InChIKey is XCMUPYYAFTVEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(2)5-9-3-4-10(11-6-9)13-7-12/h3-4,6-8H,5H2,1-2H3.
What are the key properties of [5-(2-methylpropyl)-2-pyridinyl] formate?
[5-(2-methylpropyl)-2-pyridinyl] formate has a molecular weight of 179.22 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-2-pyridinyl] formate is sourced from PubChem (CID 172512875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).