methyl 4-furo[3,2-c]pyridin-2-ylbenzoate

C15H11NO3 — CID 54351307

IUPACmethyl 4-furo[3,2-c]pyridin-2-ylbenzoate
SMILESCOC(=O)c1ccc(-c2cc3cnccc3o2)cc1
InChIInChI=1S/C15H11NO3/c1-18-15(17)11-4-2-10(3-5-11)14-8-12-9-16-7-6-13(12)19-14/h2-9H,1H3
InChIKeyUFZCEGCJKXHARR-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.28
Rot. Bonds2

About methyl 4-furo[3,2-c]pyridin-2-ylbenzoate

methyl 4-furo[3,2-c]pyridin-2-ylbenzoate (PubChem CID 54351307) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 4-furo[3,2-c]pyridin-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 4-furo[3,2-c]pyridin-2-ylbenzoate
PubChem CID54351307
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Namemethyl 4-furo[3,2-c]pyridin-2-ylbenzoate
SMILESCOC(=O)c1ccc(-c2cc3cnccc3o2)cc1
InChIInChI=1S/C15H11NO3/c1-18-15(17)11-4-2-10(3-5-11)14-8-12-9-16-7-6-13(12)19-14/h2-9H,1H3
InChIKeyUFZCEGCJKXHARR-UHFFFAOYSA-N
XLogP3.28
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-furo[3,2-c]pyridin-2-ylbenzoic acid
CID 18617783
methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate
CID 66864810
methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate
CID 67551871
methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxylate
CID 59424798
methyl 4-(5-methylfuran-2-yl)benzoate
CID 5219873
methyl 4-(5-hydroxy-4-oxochromen-2-yl)benzoate
CID 73350464
methyl 4-(1,2-oxazol-5-yl)benzoate
CID 44541917
methyl isoquinoline-6-carboxylate;sulfuric acid
CID 75485670
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 5-methylpyrido[4,3-b]indole-7-carboxylate
CID 116986202
N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide
CID 18617847
methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17332875

Frequently Asked Questions

What is the IUPAC name of methyl 4-furo[3,2-c]pyridin-2-ylbenzoate?
The IUPAC name of methyl 4-furo[3,2-c]pyridin-2-ylbenzoate (CID 54351307) is methyl 4-furo[3,2-c]pyridin-2-ylbenzoate.
What is the SMILES notation for methyl 4-furo[3,2-c]pyridin-2-ylbenzoate?
The canonical SMILES for methyl 4-furo[3,2-c]pyridin-2-ylbenzoate is COC(=O)c1ccc(-c2cc3cnccc3o2)cc1.
What is the InChIKey of methyl 4-furo[3,2-c]pyridin-2-ylbenzoate?
The InChIKey is UFZCEGCJKXHARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-18-15(17)11-4-2-10(3-5-11)14-8-12-9-16-7-6-13(12)19-14/h2-9H,1H3.
What are the key properties of methyl 4-furo[3,2-c]pyridin-2-ylbenzoate?
methyl 4-furo[3,2-c]pyridin-2-ylbenzoate has a molecular weight of 253.26 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-furo[3,2-c]pyridin-2-ylbenzoate is sourced from PubChem (CID 54351307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).