2-methylpentyl pyridine-2-carboxylate

C12H17NO2 — CID 150671770

IUPAC2-methylpentyl pyridine-2-carboxylate
SMILESCCCC(C)COC(=O)c1ccccn1
InChIInChI=1S/C12H17NO2/c1-3-6-10(2)9-15-12(14)11-7-4-5-8-13-11/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyJGAIAIWGYSAVQX-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.67
Rot. Bonds5

About 2-methylpentyl pyridine-2-carboxylate

2-methylpentyl pyridine-2-carboxylate (PubChem CID 150671770) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-methylpentyl pyridine-2-carboxylate.

Molecular Properties

Compound Name2-methylpentyl pyridine-2-carboxylate
PubChem CID150671770
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-methylpentyl pyridine-2-carboxylate
SMILESCCCC(C)COC(=O)c1ccccn1
InChIInChI=1S/C12H17NO2/c1-3-6-10(2)9-15-12(14)11-7-4-5-8-13-11/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyJGAIAIWGYSAVQX-UHFFFAOYSA-N
XLogP2.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylhexyl pyridine-2-carboxylate
CID 46198409
1-aminobutyl pyridine-2-carboxylate
CID 174954272
ethyl pyridine-2-carboxylate
CID 17307
(4-amino-2,3-dimethyl-4-oxobutyl) pyridine-2-carboxylate
CID 67908094
2-methylpentyl 2-sulfanylbenzoate
CID 107019144
(2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride
CID 174448756
2-(2-methylpentoxycarbonyl)benzoate
CID 154202187
1-aminoethyl pyridine-2-carboxylate
CID 141264689
(2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate
CID 174416527
2-methylpentyl 2,3-difluoropyridine-4-carboxylate
CID 103285945
3-dimethoxysilylbutyl pyridine-2-carboxylate
CID 154185304
2-methylpentyl 6-aminopyridine-3-carboxylate
CID 103284118

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl pyridine-2-carboxylate?
The IUPAC name of 2-methylpentyl pyridine-2-carboxylate (CID 150671770) is 2-methylpentyl pyridine-2-carboxylate.
What is the SMILES notation for 2-methylpentyl pyridine-2-carboxylate?
The canonical SMILES for 2-methylpentyl pyridine-2-carboxylate is CCCC(C)COC(=O)c1ccccn1.
What is the InChIKey of 2-methylpentyl pyridine-2-carboxylate?
The InChIKey is JGAIAIWGYSAVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-6-10(2)9-15-12(14)11-7-4-5-8-13-11/h4-5,7-8,10H,3,6,9H2,1-2H3.
What are the key properties of 2-methylpentyl pyridine-2-carboxylate?
2-methylpentyl pyridine-2-carboxylate has a molecular weight of 207.27 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl pyridine-2-carboxylate is sourced from PubChem (CID 150671770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).