5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid

C11H6ClNO5 — CID 960728

IUPAC5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1
InChIInChI=1S/C11H6ClNO5/c12-8-2-1-6(13(16)17)5-7(8)9-3-4-10(18-9)11(14)15/h1-5H,(H,14,15)
InChIKeyHKMQHJBYZYAYSB-UHFFFAOYSA-N
MW267.62 g/mol
LogP3.21
Rot. Bonds3

About 5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid

5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid (PubChem CID 960728) has the molecular formula C11H6ClNO5 and a molecular weight of 267.62 g/mol. Its IUPAC name is 5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid
PubChem CID960728
Molecular FormulaC11H6ClNO5
Molecular Weight267.62 g/mol
Exact Mass266.99
IUPAC Name5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1
InChIInChI=1S/C11H6ClNO5/c12-8-2-1-6(13(16)17)5-7(8)9-3-4-10(18-9)11(14)15/h1-5H,(H,14,15)
InChIKeyHKMQHJBYZYAYSB-UHFFFAOYSA-N
XLogP3.21
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.62
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2,6-dichloro-4-nitrophenyl)furan-2-carboxylic acid
CID 745871
prop-2-ynyl 5-(2-chloro-5-nitrophenyl)furan-2-carboxylate
CID 95911155
5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid
CID 960532
4-[2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]benzoic acid
CID 4306604
[5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone
CID 100817570
1-[5-(2-chloro-5-nitrophenyl)furan-2-carbonyl]indole-3-carbonitrile
CID 91689495
N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 18530001
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
5-(2,6-dichloro-4-nitrophenyl)sulfanylfuran-2-carboxylic acid
CID 106891240
2-(2-chloro-5-nitrophenyl)furan
CID 15318128
(2R,4R)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
CID 96835758
5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride
CID 23009302

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid (CID 960728) is 5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid is O=C(O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1.
What is the InChIKey of 5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid?
The InChIKey is HKMQHJBYZYAYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO5/c12-8-2-1-6(13(16)17)5-7(8)9-3-4-10(18-9)11(14)15/h1-5H,(H,14,15).
What are the key properties of 5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid?
5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid has a molecular weight of 267.62 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid is sourced from PubChem (CID 960728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).