pyridin-2-yl 5-(3,4-dichlorophenyl)furan-2-carboxylate

C16H9Cl2NO3 — CID 142747435

IUPACpyridin-2-yl 5-(3,4-dichlorophenyl)furan-2-carboxylate
SMILESO=C(Oc1ccccn1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C16H9Cl2NO3/c17-11-5-4-10(9-12(11)18)13-6-7-14(21-13)16(20)22-15-3-1-2-8-19-15/h1-9H
InChIKeyVFRYWLJTLCSYQT-UHFFFAOYSA-N
MW334.16 g/mol
LogP4.87
Rot. Bonds3

About pyridin-2-yl 5-(3,4-dichlorophenyl)furan-2-carboxylate

pyridin-2-yl 5-(3,4-dichlorophenyl)furan-2-carboxylate (PubChem CID 142747435) has the molecular formula C16H9Cl2NO3 and a molecular weight of 334.16 g/mol. Its IUPAC name is pyridin-2-yl 5-(3,4-dichlorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Namepyridin-2-yl 5-(3,4-dichlorophenyl)furan-2-carboxylate
PubChem CID142747435
Molecular FormulaC16H9Cl2NO3
Molecular Weight334.16 g/mol
Exact Mass333.00
IUPAC Namepyridin-2-yl 5-(3,4-dichlorophenyl)furan-2-carboxylate
SMILESO=C(Oc1ccccn1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C16H9Cl2NO3/c17-11-5-4-10(9-12(11)18)13-6-7-14(21-13)16(20)22-15-3-1-2-8-19-15/h1-9H
InChIKeyVFRYWLJTLCSYQT-UHFFFAOYSA-N
XLogP4.87
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dichlorophenyl)-N-(2-propan-2-ylphenyl)furan-2-carboxamide
CID 23880214
dipyridin-2-yl carbonate
CID 2757370
N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117664
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone
CID 107622692
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526303
4-[5-(3,4-dichlorophenyl)furan-2-carbonyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 51368389
naphthalen-1-yl 5-(4-chlorophenyl)furan-2-carboxylate
CID 1202966
2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one
CID 2019413
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17117616
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
[5-(3,4-dichlorophenyl)furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanethione
CID 126200993

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl 5-(3,4-dichlorophenyl)furan-2-carboxylate?
The IUPAC name of pyridin-2-yl 5-(3,4-dichlorophenyl)furan-2-carboxylate (CID 142747435) is pyridin-2-yl 5-(3,4-dichlorophenyl)furan-2-carboxylate.
What is the SMILES notation for pyridin-2-yl 5-(3,4-dichlorophenyl)furan-2-carboxylate?
The canonical SMILES for pyridin-2-yl 5-(3,4-dichlorophenyl)furan-2-carboxylate is O=C(Oc1ccccn1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of pyridin-2-yl 5-(3,4-dichlorophenyl)furan-2-carboxylate?
The InChIKey is VFRYWLJTLCSYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO3/c17-11-5-4-10(9-12(11)18)13-6-7-14(21-13)16(20)22-15-3-1-2-8-19-15/h1-9H.
What are the key properties of pyridin-2-yl 5-(3,4-dichlorophenyl)furan-2-carboxylate?
pyridin-2-yl 5-(3,4-dichlorophenyl)furan-2-carboxylate has a molecular weight of 334.16 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl 5-(3,4-dichlorophenyl)furan-2-carboxylate is sourced from PubChem (CID 142747435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).