5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid

C14H10ClNO3 — CID 43163558

IUPAC5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2ccc3ccc(Cl)cc32)o1
InChIInChI=1S/C14H10ClNO3/c15-10-2-1-9-5-6-16(12(9)7-10)8-11-3-4-13(19-11)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyMEQGHNSUZLMYNL-UHFFFAOYSA-N
MW275.69 g/mol
LogP3.63
Rot. Bonds3

About 5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid

5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 43163558) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is 5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid
PubChem CID43163558
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2ccc3ccc(Cl)cc32)o1
InChIInChI=1S/C14H10ClNO3/c15-10-2-1-9-5-6-16(12(9)7-10)8-11-3-4-13(19-11)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyMEQGHNSUZLMYNL-UHFFFAOYSA-N
XLogP3.63
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-nitroindol-1-yl)methyl]furan-2-carboxylic acid
CID 43329880
2-[(6-chloroindol-1-yl)methyl]benzoic acid
CID 43473250
6-chloro-1-[(4-nitrophenyl)methyl]indole
CID 116620550
5-[(6-chloroindol-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
CID 112753435
5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid
CID 82146582
6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611
4-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63879545
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041483
1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid
CID 65317256
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carboxylic acid
CID 103047013
5-[(5-chloroindol-1-yl)methyl]furan-3-carboxylic acid
CID 63880239
1-[(4-chlorophenyl)methyl]indole-5-carboxylic acid
CID 63748052

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid (CID 43163558) is 5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(Cn2ccc3ccc(Cl)cc32)o1.
What is the InChIKey of 5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is MEQGHNSUZLMYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3/c15-10-2-1-9-5-6-16(12(9)7-10)8-11-3-4-13(19-11)14(17)18/h1-7H,8H2,(H,17,18).
What are the key properties of 5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid?
5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 275.69 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 43163558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).