methyl 4-pyridin-4-ylpyridine-2-carboxylate

C12H10N2O2 — CID 46317488

IUPACmethyl 4-pyridin-4-ylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C12H10N2O2/c1-16-12(15)11-8-10(4-7-14-11)9-2-5-13-6-3-9/h2-8H,1H3
InChIKeyLDDRADGAKYSTQF-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.93
Rot. Bonds2

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

methyl 4-pyridin-4-ylpyridine-2-carboxylate (PubChem CID 46317488) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 4-pyridin-4-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-pyridin-4-ylpyridine-2-carboxylate
PubChem CID46317488
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Namemethyl 4-pyridin-4-ylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C12H10N2O2/c1-16-12(15)11-8-10(4-7-14-11)9-2-5-13-6-3-9/h2-8H,1H3
InChIKeyLDDRADGAKYSTQF-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

methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401
methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 117222258
methyl 4-(4-fluorophenyl)pyridine-2-carboxylate
CID 54226711
methyl 4-(3-acetylphenyl)pyridine-2-carboxylate
CID 164543652
methyl 4-methylpyridine-2-carboxylate
CID 10920693
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 4-aminopyridine-2-carboxylate
CID 3759117
methyl 3-pyridin-4-ylbenzoate
CID 5152687
methyl 2,4-dipyridin-4-ylbenzoate
CID 46317525
methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate
CID 74891373
ethene;methyl 4-aminopyridine-2-carboxylate
CID 177218086
methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate
CID 110282305

Frequently Asked Questions

What is the IUPAC name of methyl 4-pyridin-4-ylpyridine-2-carboxylate?
The IUPAC name of methyl 4-pyridin-4-ylpyridine-2-carboxylate (CID 46317488) is methyl 4-pyridin-4-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-pyridin-4-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-pyridin-4-ylpyridine-2-carboxylate is COC(=O)c1cc(-c2ccncc2)ccn1.
What is the InChIKey of methyl 4-pyridin-4-ylpyridine-2-carboxylate?
The InChIKey is LDDRADGAKYSTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-16-12(15)11-8-10(4-7-14-11)9-2-5-13-6-3-9/h2-8H,1H3.
What are the key properties of methyl 4-pyridin-4-ylpyridine-2-carboxylate?
methyl 4-pyridin-4-ylpyridine-2-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 4-pyridin-4-ylpyridine-2-carboxylate is sourced from PubChem (CID 46317488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).