methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate

C17H13N3O2 — CID 46317548

IUPACmethyl 3,5-dipyridin-3-ylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2cccnc2)cc1-c1cccnc1
InChIInChI=1S/C17H13N3O2/c1-22-17(21)16-15(13-5-3-7-19-10-13)8-14(11-20-16)12-4-2-6-18-9-12/h2-11H,1H3
InChIKeyZEOTWIBBUODBSR-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.99
Rot. Bonds3

About methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate

methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate (PubChem CID 46317548) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-dipyridin-3-ylpyridine-2-carboxylate
PubChem CID46317548
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Namemethyl 3,5-dipyridin-3-ylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2cccnc2)cc1-c1cccnc1
InChIInChI=1S/C17H13N3O2/c1-22-17(21)16-15(13-5-3-7-19-10-13)8-14(11-20-16)12-4-2-6-18-9-12/h2-11H,1H3
InChIKeyZEOTWIBBUODBSR-UHFFFAOYSA-N
XLogP2.99
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate
CID 46317643
methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate
CID 46317611
methyl 3-pyridin-3-ylpyridine-4-carboxylate
CID 46317485
methyl 4-pyridin-3-yl-1H-pyrazole-5-carboxylate
CID 14171451
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate
CID 16681140
2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
CID 46317360
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415
4-methoxycarbonyl-2-pyridin-3-ylbenzoate
CID 170994448
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451
ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate
CID 142338592
ethyl 5-pyridin-3-yl-3-(trifluoromethyl)pyridine-2-carboxylate
CID 46317787

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate?
The IUPAC name of methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate (CID 46317548) is methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate is COC(=O)c1ncc(-c2cccnc2)cc1-c1cccnc1.
What is the InChIKey of methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate?
The InChIKey is ZEOTWIBBUODBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-22-17(21)16-15(13-5-3-7-19-10-13)8-14(11-20-16)12-4-2-6-18-9-12/h2-11H,1H3.
What are the key properties of methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate?
methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate is sourced from PubChem (CID 46317548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).