pyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate

C18H14ClNO4 — CID 1084316

IUPACpyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate
SMILESO=C(OCc1ccccn1)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C18H14ClNO4/c19-15-6-1-2-7-16(15)22-12-14-8-9-17(24-14)18(21)23-11-13-5-3-4-10-20-13/h1-10H,11-12H2
InChIKeyMPGORUGZBCWFRF-UHFFFAOYSA-N
MW343.77 g/mol
LogP4.26
Rot. Bonds6

About pyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate

pyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate (PubChem CID 1084316) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is pyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate
PubChem CID1084316
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Namepyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate
SMILESO=C(OCc1ccccn1)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C18H14ClNO4/c19-15-6-1-2-7-16(15)22-12-14-8-9-17(24-14)18(21)23-11-13-5-3-4-10-20-13/h1-10H,11-12H2
InChIKeyMPGORUGZBCWFRF-UHFFFAOYSA-N
XLogP4.26
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Ethoxy-phenoxymethyl)-furan-2-carboxylic acid pyridin-2-ylmethyl ester
CID 653780
5-((2-Chlorophenoxy)methyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 717071
5-[(4-chlorophenoxy)methyl]-N-(2-pyridinylmethyl)-2-furamide
CID 726955
5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide
CID 1269642
5-[(2-chlorophenoxy)methyl]-N-3-pyridinyl-2-furamide
CID 2193223
Picolinic acid, 5-(o-chlorophenoxy)-
CID 3055228
Picolinic acid, 5-(p-chlorophenoxy)-, ethyl ester
CID 3055231
Ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 84586320
4-[(3,5-Dichloro-2-pyridyl)oxy]phenyl 2-furoate
CID 1205195
Pyridin-2-ylmethyl 3-[(2-chlorophenoxy)methyl]benzoate
CID 1314848
5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19452895
(E)-3-[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one
CID 19553360

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate (CID 1084316) is pyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate is O=C(OCc1ccccn1)c1ccc(COc2ccccc2Cl)o1.
What is the InChIKey of pyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate?
The InChIKey is MPGORUGZBCWFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c19-15-6-1-2-7-16(15)22-12-14-8-9-17(24-14)18(21)23-11-13-5-3-4-10-20-13/h1-10H,11-12H2.
What are the key properties of pyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate?
pyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate has a molecular weight of 343.77 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 1084316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).