6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride

C12H7Cl2NO2 — CID 13405828

IUPAC6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride
SMILESCn1c2cc(Cl)ccc2c2oc(C(=O)Cl)cc21
InChIInChI=1S/C12H7Cl2NO2/c1-15-8-4-6(13)2-3-7(8)11-9(15)5-10(17-11)12(14)16/h2-5H,1H3
InChIKeyDQKRXNOSBXPQJA-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.96
Rot. Bonds1

About 6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride

6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride (PubChem CID 13405828) has the molecular formula C12H7Cl2NO2 and a molecular weight of 268.10 g/mol. Its IUPAC name is 6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride.

Molecular Properties

Compound Name6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride
PubChem CID13405828
Molecular FormulaC12H7Cl2NO2
Molecular Weight268.10 g/mol
Exact Mass266.99
IUPAC Name6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride
SMILESCn1c2cc(Cl)ccc2c2oc(C(=O)Cl)cc21
InChIInChI=1S/C12H7Cl2NO2/c1-15-8-4-6(13)2-3-7(8)11-9(15)5-10(17-11)12(14)16/h2-5H,1H3
InChIKeyDQKRXNOSBXPQJA-UHFFFAOYSA-N
XLogP3.96
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride?
The IUPAC name of 6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride (CID 13405828) is 6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride.
What is the SMILES notation for 6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride?
The canonical SMILES for 6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride is Cn1c2cc(Cl)ccc2c2oc(C(=O)Cl)cc21.
What is the InChIKey of 6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride?
The InChIKey is DQKRXNOSBXPQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO2/c1-15-8-4-6(13)2-3-7(8)11-9(15)5-10(17-11)12(14)16/h2-5H,1H3.
What are the key properties of 6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride?
6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride has a molecular weight of 268.10 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride is sourced from PubChem (CID 13405828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).