8-chloro-2H-chromene-5-carboxamide

C10H8ClNO2 — CID 25138747

IUPAC8-chloro-2H-chromene-5-carboxamide
SMILESNC(=O)c1ccc(Cl)c2c1C=CCO2
InChIInChI=1S/C10H8ClNO2/c11-8-4-3-7(10(12)13)6-2-1-5-14-9(6)8/h1-4H,5H2,(H2,12,13)
InChIKeyAOSIUZIBVNOURQ-UHFFFAOYSA-N
MW209.63 g/mol
LogP1.84
Rot. Bonds1

About 8-chloro-2H-chromene-5-carboxamide

8-chloro-2H-chromene-5-carboxamide (PubChem CID 25138747) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 8-chloro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name8-chloro-2H-chromene-5-carboxamide
PubChem CID25138747
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name8-chloro-2H-chromene-5-carboxamide
SMILESNC(=O)c1ccc(Cl)c2c1C=CCO2
InChIInChI=1S/C10H8ClNO2/c11-8-4-3-7(10(12)13)6-2-1-5-14-9(6)8/h1-4H,5H2,(H2,12,13)
InChIKeyAOSIUZIBVNOURQ-UHFFFAOYSA-N
XLogP1.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2H-chromene-5-carboxamide?
The IUPAC name of 8-chloro-2H-chromene-5-carboxamide (CID 25138747) is 8-chloro-2H-chromene-5-carboxamide.
What is the SMILES notation for 8-chloro-2H-chromene-5-carboxamide?
The canonical SMILES for 8-chloro-2H-chromene-5-carboxamide is NC(=O)c1ccc(Cl)c2c1C=CCO2.
What is the InChIKey of 8-chloro-2H-chromene-5-carboxamide?
The InChIKey is AOSIUZIBVNOURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c11-8-4-3-7(10(12)13)6-2-1-5-14-9(6)8/h1-4H,5H2,(H2,12,13).
What are the key properties of 8-chloro-2H-chromene-5-carboxamide?
8-chloro-2H-chromene-5-carboxamide has a molecular weight of 209.63 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2H-chromene-5-carboxamide is sourced from PubChem (CID 25138747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).