(5-methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate

C13H11NO5 — CID 2452434

IUPAC(5-methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccncc2)o1
InChIInChI=1S/C13H11NO5/c1-17-13(16)11-3-2-10(19-11)8-18-12(15)9-4-6-14-7-5-9/h2-7H,8H2,1H3
InChIKeyDTSGPSBRYBAHDS-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.82
Rot. Bonds4

About (5-methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate

(5-methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate (PubChem CID 2452434) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is (5-methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate
PubChem CID2452434
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name(5-methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccncc2)o1
InChIInChI=1S/C13H11NO5/c1-17-13(16)11-3-2-10(19-11)8-18-12(15)9-4-6-14-7-5-9/h2-7H,8H2,1H3
InChIKeyDTSGPSBRYBAHDS-UHFFFAOYSA-N
XLogP1.82
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Ethoxy-phenoxymethyl)-furan-2-carboxylic acid pyridin-2-ylmethyl ester
CID 653780
2-Furylmethyl nicotinate
CID 4297039
Pyridin-3-yl furan-2-carboxylate hydrochloride
CID 6602726
(E)-1-Furan-2-yl-3-pyridin-2-yl-propenone
CID 10012992
(5-Methyl-2-Furyl)(Pyridin-3-Yl)Methanol
CID 649084
Methyl 5-{[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]methyl}-2-furoate
CID 891684
(5-Methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 2103679
Methyl 5-({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}methyl)-2-furoate
CID 2200375
4-(2-Furyl)pyridine
CID 589392
Ethyl furo(2,3-c)pyridine-2-carboxylate
CID 642130
1-(2-Furanyl)-3-(4-pyridyl)-2-propen-1-one
CID 5812432
5-(Pyridin-4-yl)furan-2-carboxylic acid
CID 22709614

Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate?
The IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate (CID 2452434) is (5-methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate.
What is the SMILES notation for (5-methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate?
The canonical SMILES for (5-methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate is COC(=O)c1ccc(COC(=O)c2ccncc2)o1.
What is the InChIKey of (5-methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate?
The InChIKey is DTSGPSBRYBAHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c1-17-13(16)11-3-2-10(19-11)8-18-12(15)9-4-6-14-7-5-9/h2-7H,8H2,1H3.
What are the key properties of (5-methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate?
(5-methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate has a molecular weight of 261.23 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate is sourced from PubChem (CID 2452434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).