4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid

C14H14N2O2 — CID 143282268

IUPAC4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid
SMILESCCc1ncccc1-c1cc(C)ncc1C(=O)O
InChIInChI=1S/C14H14N2O2/c1-3-13-10(5-4-6-15-13)11-7-9(2)16-8-12(11)14(17)18/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyBPOWFUNCUZYMEI-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.71
Rot. Bonds3

About 4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid

4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid (PubChem CID 143282268) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid
PubChem CID143282268
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid
SMILESCCc1ncccc1-c1cc(C)ncc1C(=O)O
InChIInChI=1S/C14H14N2O2/c1-3-13-10(5-4-6-15-13)11-7-9(2)16-8-12(11)14(17)18/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyBPOWFUNCUZYMEI-UHFFFAOYSA-N
XLogP2.71
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid (CID 143282268) is 4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid is CCc1ncccc1-c1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is BPOWFUNCUZYMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-13-10(5-4-6-15-13)11-7-9(2)16-8-12(11)14(17)18/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of 4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid?
4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 143282268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).