methyl 3-pyridin-3-ylpyridine-4-carboxylate

C12H10N2O2 — CID 46317485

IUPACmethyl 3-pyridin-3-ylpyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1-c1cccnc1
InChIInChI=1S/C12H10N2O2/c1-16-12(15)10-4-6-14-8-11(10)9-3-2-5-13-7-9/h2-8H,1H3
InChIKeyGGIFGCODAYULLP-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.93
Rot. Bonds2

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

methyl 3-pyridin-3-ylpyridine-4-carboxylate (PubChem CID 46317485) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 3-pyridin-3-ylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-pyridin-3-ylpyridine-4-carboxylate
PubChem CID46317485
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Namemethyl 3-pyridin-3-ylpyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1-c1cccnc1
InChIInChI=1S/C12H10N2O2/c1-16-12(15)10-4-6-14-8-11(10)9-3-2-5-13-7-9/h2-8H,1H3
InChIKeyGGIFGCODAYULLP-UHFFFAOYSA-N
XLogP1.93
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate
CID 142338592
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415
methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317589
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
methyl 2-chloro-5-methylsulfonyl-4-pyridin-3-ylbenzoate
CID 18920056
methyl 4-pyridin-3-yl-1H-pyrazole-5-carboxylate
CID 14171451
methyl 5-nitro-2-pyridin-3-ylbenzoate
CID 46317465
methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate
CID 46317548
4-methoxycarbonyl-2-pyridin-3-ylbenzoate
CID 170994448
methyl 3-chloropyridine-4-carboxylate
CID 15324397
(111C)methyl pyridine-3-carboxylate
CID 11309537
methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate
CID 46317643

Frequently Asked Questions

What is the IUPAC name of methyl 3-pyridin-3-ylpyridine-4-carboxylate?
The IUPAC name of methyl 3-pyridin-3-ylpyridine-4-carboxylate (CID 46317485) is methyl 3-pyridin-3-ylpyridine-4-carboxylate.
What is the SMILES notation for methyl 3-pyridin-3-ylpyridine-4-carboxylate?
The canonical SMILES for methyl 3-pyridin-3-ylpyridine-4-carboxylate is COC(=O)c1ccncc1-c1cccnc1.
What is the InChIKey of methyl 3-pyridin-3-ylpyridine-4-carboxylate?
The InChIKey is GGIFGCODAYULLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-16-12(15)10-4-6-14-8-11(10)9-3-2-5-13-7-9/h2-8H,1H3.
What are the key properties of methyl 3-pyridin-3-ylpyridine-4-carboxylate?
methyl 3-pyridin-3-ylpyridine-4-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyridin-3-ylpyridine-4-carboxylate is sourced from PubChem (CID 46317485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).