6,8-dichloro-2-iminochromene-3-carboxamide

C10H6Cl2N2O2 — CID 3572808

IUPAC6,8-dichloro-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2c(Cl)cc(Cl)cc2cc1C(N)=O
InChIInChI=1S/C10H6Cl2N2O2/c11-5-1-4-2-6(9(13)15)10(14)16-8(4)7(12)3-5/h1-3,14H,(H2,13,15)/b14-10-
InChIKeyKHKXIKVCMISBTP-UVTDQMKNSA-N
MW257.08 g/mol
LogP2.32
Rot. Bonds1

About 6,8-dichloro-2-iminochromene-3-carboxamide

6,8-dichloro-2-iminochromene-3-carboxamide (PubChem CID 3572808) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is 6,8-dichloro-2-iminochromene-3-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-2-iminochromene-3-carboxamide
PubChem CID3572808
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC Name6,8-dichloro-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2c(Cl)cc(Cl)cc2cc1C(N)=O
InChIInChI=1S/C10H6Cl2N2O2/c11-5-1-4-2-6(9(13)15)10(14)16-8(4)7(12)3-5/h1-3,14H,(H2,13,15)/b14-10-
InChIKeyKHKXIKVCMISBTP-UVTDQMKNSA-N
XLogP2.32
TPSA80.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'coumarin_G(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-iminochromene-3-carboxamide?
The IUPAC name of 6,8-dichloro-2-iminochromene-3-carboxamide (CID 3572808) is 6,8-dichloro-2-iminochromene-3-carboxamide.
What is the SMILES notation for 6,8-dichloro-2-iminochromene-3-carboxamide?
The canonical SMILES for 6,8-dichloro-2-iminochromene-3-carboxamide is [H]/N=c1\oc2c(Cl)cc(Cl)cc2cc1C(N)=O.
What is the InChIKey of 6,8-dichloro-2-iminochromene-3-carboxamide?
The InChIKey is KHKXIKVCMISBTP-UVTDQMKNSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c11-5-1-4-2-6(9(13)15)10(14)16-8(4)7(12)3-5/h1-3,14H,(H2,13,15)/b14-10-.
What are the key properties of 6,8-dichloro-2-iminochromene-3-carboxamide?
6,8-dichloro-2-iminochromene-3-carboxamide has a molecular weight of 257.08 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-iminochromene-3-carboxamide is sourced from PubChem (CID 3572808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).