4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate

C19H13N2O4- — CID 59144022

IUPAC4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate
SMILESCc1cc(-c2ccco2)c(C#N)c(OCc2ccc(C(=O)[O-])cc2)n1
InChIInChI=1S/C19H14N2O4/c1-12-9-15(17-3-2-8-24-17)16(10-20)18(21-12)25-11-13-4-6-14(7-5-13)19(22)23/h2-9H,11H2,1H3,(H,22,23)/p-1
InChIKeyMRSPVJKDVUUJED-UHFFFAOYSA-M
MW333.32 g/mol
LogP2.46
Rot. Bonds5

About 4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate

4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate (PubChem CID 59144022) has the molecular formula C19H13N2O4- and a molecular weight of 333.32 g/mol. Its IUPAC name is 4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate.

Molecular Properties

Compound Name4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate
PubChem CID59144022
Molecular FormulaC19H13N2O4-
Molecular Weight333.32 g/mol
Exact Mass333.09
IUPAC Name4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate
SMILESCc1cc(-c2ccco2)c(C#N)c(OCc2ccc(C(=O)[O-])cc2)n1
InChIInChI=1S/C19H14N2O4/c1-12-9-15(17-3-2-8-24-17)16(10-20)18(21-12)25-11-13-4-6-14(7-5-13)19(22)23/h2-9H,11H2,1H3,(H,22,23)/p-1
InChIKeyMRSPVJKDVUUJED-UHFFFAOYSA-M
XLogP2.46
TPSA99.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate with MolForge

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Related Compounds

4-[[3-cyano-4-(furan-2-yl)-6-(5-methylthiophen-2-yl)-2-pyridinyl]oxymethyl]benzoic acid
CID 57490623
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 61177256
sodium 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]benzoate
CID 169428580
4-[[3-cyano-4-(furan-3-yl)-6-(3-methoxyphenyl)-2-pyridinyl]oxymethyl]benzoic acid
CID 57490641
5-cyano-4-(furan-2-yl)-6-methylpyridine-2-carboxamide
CID 134085841
4-[[3-cyano-4-(furan-3-yl)-5,6-dimethyl-2-pyridinyl]oxymethyl]benzoic acid
CID 57490634
methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate
CID 891684
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate
CID 7228435
disodium;4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]benzoate;4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzenecarboximidate
CID 158215459
4-[(2,4-dimethylphenoxy)methyl]benzoate
CID 7017094
4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile
CID 70079353
ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]sulfanyl]-3-oxobutanoate
CID 15359410

Frequently Asked Questions

What is the IUPAC name of 4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate?
The IUPAC name of 4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate (CID 59144022) is 4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate.
What is the SMILES notation for 4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate?
The canonical SMILES for 4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate is Cc1cc(-c2ccco2)c(C#N)c(OCc2ccc(C(=O)[O-])cc2)n1.
What is the InChIKey of 4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate?
The InChIKey is MRSPVJKDVUUJED-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H14N2O4/c1-12-9-15(17-3-2-8-24-17)16(10-20)18(21-12)25-11-13-4-6-14(7-5-13)19(22)23/h2-9H,11H2,1H3,(H,22,23)/p-1.
What are the key properties of 4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate?
4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate has a molecular weight of 333.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate is sourced from PubChem (CID 59144022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).