2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid

C12H14N2O2 — CID 114410077

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(N2CC=CCC2)n1
InChIInChI=1S/C12H14N2O2/c1-9-7-10(12(15)16)8-11(13-9)14-5-3-2-4-6-14/h2-3,7-8H,4-6H2,1H3,(H,15,16)
InChIKeyKIOSNVNASDVFRC-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.85
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid

2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid (PubChem CID 114410077) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid
PubChem CID114410077
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(N2CC=CCC2)n1
InChIInChI=1S/C12H14N2O2/c1-9-7-10(12(15)16)8-11(13-9)14-5-3-2-4-6-14/h2-3,7-8H,4-6H2,1H3,(H,15,16)
InChIKeyKIOSNVNASDVFRC-UHFFFAOYSA-N
XLogP1.85
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid (CID 114410077) is 2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(N2CC=CCC2)n1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid?
The InChIKey is KIOSNVNASDVFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-7-10(12(15)16)8-11(13-9)14-5-3-2-4-6-14/h2-3,7-8H,4-6H2,1H3,(H,15,16).
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid?
2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 114410077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).