methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate

C12H10ClNO3 — CID 7175940

IUPACmethyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(N)cc2Cl)o1
InChIInChI=1S/C12H10ClNO3/c1-16-12(15)11-5-4-10(17-11)8-3-2-7(14)6-9(8)13/h2-6H,14H2,1H3
InChIKeyWDVFTOOBTQFGDU-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.97
Rot. Bonds2

About methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate

methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate (PubChem CID 7175940) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate
PubChem CID7175940
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Namemethyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(N)cc2Cl)o1
InChIInChI=1S/C12H10ClNO3/c1-16-12(15)11-5-4-10(17-11)8-3-2-7(14)6-9(8)13/h2-6H,14H2,1H3
InChIKeyWDVFTOOBTQFGDU-UHFFFAOYSA-N
XLogP2.97
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 5-(5-amino-2-chlorophenyl)furan-2-carboxylate
CID 16762246
5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide
CID 91687739
5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide
CID 91679615
[5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 100804516
[5-(4-amino-2-chlorophenyl)furan-2-yl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 100804507
N-(4-amino-2-chloro-6-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 100816673
methyl 5-(2,4-dibromophenyl)furan-2-carboxylate
CID 95910400
5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide
CID 94675227
5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 11514393
methyl 5-amino-2-chlorobenzoate
CID 5200412
ethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate
CID 95911230
methyl 5-amino-2-(4-amino-2-methoxycarbonylphenyl)benzoate
CID 11109368

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate (CID 7175940) is methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate is COC(=O)c1ccc(-c2ccc(N)cc2Cl)o1.
What is the InChIKey of methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate?
The InChIKey is WDVFTOOBTQFGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-16-12(15)11-5-4-10(17-11)8-3-2-7(14)6-9(8)13/h2-6H,14H2,1H3.
What are the key properties of methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate?
methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate has a molecular weight of 251.67 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate is sourced from PubChem (CID 7175940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).