methyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate

C19H17FN2O2 — CID 163705317

IUPACmethyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2cncc(C)c2)cnc1C1C=CC=CC1F
InChIInChI=1S/C19H17FN2O2/c1-12-7-13(10-21-9-12)14-8-16(19(23)24-2)18(22-11-14)15-5-3-4-6-17(15)20/h3-11,15,17H,1-2H3
InChIKeyKEOFCLCHRQJWSY-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.79
Rot. Bonds3

About methyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate

methyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate (PubChem CID 163705317) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is methyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate
PubChem CID163705317
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Namemethyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2cncc(C)c2)cnc1C1C=CC=CC1F
InChIInChI=1S/C19H17FN2O2/c1-12-7-13(10-21-9-12)14-8-16(19(23)24-2)18(22-11-14)15-5-3-4-6-17(15)20/h3-11,15,17H,1-2H3
InChIKeyKEOFCLCHRQJWSY-UHFFFAOYSA-N
XLogP3.79
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate (CID 163705317) is methyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate is COC(=O)c1cc(-c2cncc(C)c2)cnc1C1C=CC=CC1F.
What is the InChIKey of methyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate?
The InChIKey is KEOFCLCHRQJWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-12-7-13(10-21-9-12)14-8-16(19(23)24-2)18(22-11-14)15-5-3-4-6-17(15)20/h3-11,15,17H,1-2H3.
What are the key properties of methyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate?
methyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate has a molecular weight of 324.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-fluorocyclohexa-2,4-dien-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate is sourced from PubChem (CID 163705317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).