6-chloro-2-iminochromene-3-carbonitrile

C10H5ClN2O — CID 4183278

IUPAC6-chloro-2-iminochromene-3-carbonitrile
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C#N
InChIInChI=1S/C10H5ClN2O/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4,13H/b13-10-
InChIKeyICHAVFURYGPSBQ-RAXLEYEMSA-N
MW204.62 g/mol
LogP2.44
Rot. Bonds

About 6-chloro-2-iminochromene-3-carbonitrile

6-chloro-2-iminochromene-3-carbonitrile (PubChem CID 4183278) has the molecular formula C10H5ClN2O and a molecular weight of 204.62 g/mol. Its IUPAC name is 6-chloro-2-iminochromene-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-iminochromene-3-carbonitrile
PubChem CID4183278
Molecular FormulaC10H5ClN2O
Molecular Weight204.62 g/mol
Exact Mass204.01
IUPAC Name6-chloro-2-iminochromene-3-carbonitrile
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C#N
InChIInChI=1S/C10H5ClN2O/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4,13H/b13-10-
InChIKeyICHAVFURYGPSBQ-RAXLEYEMSA-N
XLogP2.44
TPSA60.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-iminochromene-3-carbonitrile?
The IUPAC name of 6-chloro-2-iminochromene-3-carbonitrile (CID 4183278) is 6-chloro-2-iminochromene-3-carbonitrile.
What is the SMILES notation for 6-chloro-2-iminochromene-3-carbonitrile?
The canonical SMILES for 6-chloro-2-iminochromene-3-carbonitrile is [H]/N=c1\oc2ccc(Cl)cc2cc1C#N.
What is the InChIKey of 6-chloro-2-iminochromene-3-carbonitrile?
The InChIKey is ICHAVFURYGPSBQ-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H5ClN2O/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4,13H/b13-10-.
What are the key properties of 6-chloro-2-iminochromene-3-carbonitrile?
6-chloro-2-iminochromene-3-carbonitrile has a molecular weight of 204.62 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-iminochromene-3-carbonitrile is sourced from PubChem (CID 4183278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).