methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate

C12H9FN2O2 — CID 46317589

IUPACmethyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2cccnc2)c1F
InChIInChI=1S/C12H9FN2O2/c1-17-12(16)9-4-6-15-11(10(9)13)8-3-2-5-14-7-8/h2-7H,1H3
InChIKeyNAEUFGYQEKVFKK-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.07
Rot. Bonds2

About methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate

methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate (PubChem CID 46317589) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate
PubChem CID46317589
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Namemethyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2cccnc2)c1F
InChIInChI=1S/C12H9FN2O2/c1-17-12(16)9-4-6-15-11(10(9)13)8-3-2-5-14-7-8/h2-7H,1H3
InChIKeyNAEUFGYQEKVFKK-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

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Related Compounds

methyl 3-pyridin-3-ylpyridine-4-carboxylate
CID 46317485
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
methyl 2,3,5,6-tetrafluoro-4-pyridin-3-ylbenzoate
CID 46317647
methyl 2-pyridin-3-ylquinazoline-8-carboxylate
CID 58154662
methyl 8-fluoroquinoline-7-carboxylate
CID 169130767
methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate
CID 46317611
ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate
CID 142338592
methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate
CID 46317548
methyl 4-fluoropyridine-3-carboxylate
CID 46311150
methyl 2-chloro-5-methylsulfonyl-4-pyridin-3-ylbenzoate
CID 18920056
methyl 5-fluoroquinoline-6-carboxylate
CID 118665149

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate?
The IUPAC name of methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate (CID 46317589) is methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate.
What is the SMILES notation for methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate?
The canonical SMILES for methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate is COC(=O)c1ccnc(-c2cccnc2)c1F.
What is the InChIKey of methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate?
The InChIKey is NAEUFGYQEKVFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-17-12(16)9-4-6-15-11(10(9)13)8-3-2-5-14-7-8/h2-7H,1H3.
What are the key properties of methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate?
methyl 3-fluoro-2-pyridin-3-ylpyridine-4-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 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate is sourced from PubChem (CID 46317589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).