methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate

C13H11FN2O2 — CID 175067958

IUPACmethyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1-c1ncc(C)cc1F
InChIInChI=1S/C13H11FN2O2/c1-8-6-10(14)11(16-7-8)9-4-3-5-15-12(9)13(17)18-2/h3-7H,1-2H3
InChIKeyMPAHOFLRINNVPL-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.38
Rot. Bonds2

About methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate

methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate (PubChem CID 175067958) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate
PubChem CID175067958
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Namemethyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1-c1ncc(C)cc1F
InChIInChI=1S/C13H11FN2O2/c1-8-6-10(14)11(16-7-8)9-4-3-5-15-12(9)13(17)18-2/h3-7H,1-2H3
InChIKeyMPAHOFLRINNVPL-UHFFFAOYSA-N
XLogP2.38
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate
CID 150115292
methyl 3-(3-bromophenyl)pyridine-2-carboxylate
CID 102538275
methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 141441800
3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 53224145
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634494
2-(2-fluorophenyl)-5-methylpyridine-3-carboxylic acid
CID 83918520
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate
CID 90284883
methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate
CID 134638044
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate (CID 175067958) is methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate is COC(=O)c1ncccc1-c1ncc(C)cc1F.
What is the InChIKey of methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate?
The InChIKey is MPAHOFLRINNVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-8-6-10(14)11(16-7-8)9-4-3-5-15-12(9)13(17)18-2/h3-7H,1-2H3.
What are the key properties of methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate?
methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate has a molecular weight of 246.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate is sourced from PubChem (CID 175067958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).