(111C)methyl pyridine-3-carboxylate

C7H7NO2 — CID 11309537

IUPAC(111C)methyl pyridine-3-carboxylate
SMILES[11CH3]OC(=O)c1cccnc1
InChIInChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3/i1-1
InChIKeyYNBADRVTZLEFNH-BJUDXGSMSA-N
MW136.14 g/mol
LogP0.87
Rot. Bonds1

About (111C)methyl pyridine-3-carboxylate

(111C)methyl pyridine-3-carboxylate (PubChem CID 11309537) has the molecular formula C7H7NO2 and a molecular weight of 136.14 g/mol. Its IUPAC name is (111C)methyl pyridine-3-carboxylate.

Molecular Properties

Compound Name(111C)methyl pyridine-3-carboxylate
PubChem CID11309537
Molecular FormulaC7H7NO2
Molecular Weight136.14 g/mol
Exact Mass136.06
IUPAC Name(111C)methyl pyridine-3-carboxylate
SMILES[11CH3]OC(=O)c1cccnc1
InChIInChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3/i1-1
InChIKeyYNBADRVTZLEFNH-BJUDXGSMSA-N
XLogP0.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 22254315
CID 22254315
methyl benzoate;methyl pyridine-3-carboxylate;1-methylpyrrole
CID 161014753
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
2,5-dihydroxybenzoic acid;bis(methyl pyridine-3-carboxylate)
CID 139146294
(2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride
CID 171109487
hydrazinyl pyridine-3-carboxylate
CID 22603598
methylsulfanyl pyridine-3-carboxylate
CID 143338769
methyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 139434250
[2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 1088627
(propan-2-ylamino) pyridine-3-carboxylate
CID 144881639
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
tert-butyl pyridine-3-carboxylate;ethane
CID 174774588

Frequently Asked Questions

What is the IUPAC name of (111C)methyl pyridine-3-carboxylate?
The IUPAC name of (111C)methyl pyridine-3-carboxylate (CID 11309537) is (111C)methyl pyridine-3-carboxylate.
What is the SMILES notation for (111C)methyl pyridine-3-carboxylate?
The canonical SMILES for (111C)methyl pyridine-3-carboxylate is [11CH3]OC(=O)c1cccnc1.
What is the InChIKey of (111C)methyl pyridine-3-carboxylate?
The InChIKey is YNBADRVTZLEFNH-BJUDXGSMSA-N. The full InChI is InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3/i1-1.
What are the key properties of (111C)methyl pyridine-3-carboxylate?
(111C)methyl pyridine-3-carboxylate has a molecular weight of 136.14 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (111C)methyl pyridine-3-carboxylate is sourced from PubChem (CID 11309537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).