methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate

C12H9FN2O2 — CID 46317611

IUPACmethyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(F)ccc1-c1cccnc1
InChIInChI=1S/C12H9FN2O2/c1-17-12(16)11-9(4-5-10(13)15-11)8-3-2-6-14-7-8/h2-7H,1H3
InChIKeyHWNLCJBYDOAVKZ-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.07
Rot. Bonds2

About methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate

methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate (PubChem CID 46317611) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate
PubChem CID46317611
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Namemethyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(F)ccc1-c1cccnc1
InChIInChI=1S/C12H9FN2O2/c1-17-12(16)11-9(4-5-10(13)15-11)8-3-2-6-14-7-8/h2-7H,1H3
InChIKeyHWNLCJBYDOAVKZ-UHFFFAOYSA-N
XLogP2.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate
CID 46317643
methyl 6-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 133089907
methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate
CID 46317548
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415
methyl 3-pyridin-3-ylpyridine-4-carboxylate
CID 46317485
methyl 2,3,5,6-tetrafluoro-4-pyridin-3-ylbenzoate
CID 46317647
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317589
methyl 4-pyridin-3-yl-1H-pyrazole-5-carboxylate
CID 14171451
methyl 5-nitro-2-pyridin-3-ylbenzoate
CID 46317465
methyl 3-pyridin-4-yl-6-(trifluoromethyl)pyridine-2-carboxylate
CID 46317652
4-methoxycarbonyl-2-pyridin-3-ylbenzoate
CID 170994448

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate?
The IUPAC name of methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate (CID 46317611) is methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate is COC(=O)c1nc(F)ccc1-c1cccnc1.
What is the InChIKey of methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate?
The InChIKey is HWNLCJBYDOAVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-17-12(16)11-9(4-5-10(13)15-11)8-3-2-6-14-7-8/h2-7H,1H3.
What are the key properties of methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate?
methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate has a molecular weight of 232.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate is sourced from PubChem (CID 46317611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).