6-chloro-2-methyliminochromene-3-carboxamide

C11H9ClN2O2 — CID 658552

IUPAC6-chloro-2-methyliminochromene-3-carboxamide
SMILESC/N=c1\oc2ccc(Cl)cc2cc1C(N)=O
InChIInChI=1S/C11H9ClN2O2/c1-14-11-8(10(13)15)5-6-4-7(12)2-3-9(6)16-11/h2-5H,1H3,(H2,13,15)/b14-11-
InChIKeyZQVQVCIESBSWTQ-KAMYIIQDSA-N
MW236.66 g/mol
LogP1.72
Rot. Bonds1

About 6-chloro-2-methyliminochromene-3-carboxamide

6-chloro-2-methyliminochromene-3-carboxamide (PubChem CID 658552) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 6-chloro-2-methyliminochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-methyliminochromene-3-carboxamide
PubChem CID658552
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name6-chloro-2-methyliminochromene-3-carboxamide
SMILESC/N=c1\oc2ccc(Cl)cc2cc1C(N)=O
InChIInChI=1S/C11H9ClN2O2/c1-14-11-8(10(13)15)5-6-4-7(12)2-3-9(6)16-11/h2-5H,1H3,(H2,13,15)/b14-11-
InChIKeyZQVQVCIESBSWTQ-KAMYIIQDSA-N
XLogP1.72
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-2H-chromene-3-carboxamide
CID 55156
6-chloro-N-cycloheptyl-2-imino-2H-chromene-3-carboxamide
CID 17373418
2-Imino-2H-chromene-3-carboxamide
CID 598873
4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)-
CID 98554
6-chloro-2-imino-2H-chromene-3-carboxamide
CID 395948
6-chloro-2-oxo-2H-chromene-3-carboxamide
CID 780553
6-chloro-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide
CID 70683992
6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide
CID 70692433
(2Z)-6-chloro-2-(phenylimino)-2H-chromene-3-carboxamide
CID 748820
6,8-dichloro-2-imino-2H-chromene-3-carboxamide
CID 3572808
N-benzyl-6-chloro-2-imino-chromene-3-carboxamide
CID 389248
6-chloro-N-methyl-2-oxo-2H-chromene-3-carboxamide
CID 741766

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyliminochromene-3-carboxamide?
The IUPAC name of 6-chloro-2-methyliminochromene-3-carboxamide (CID 658552) is 6-chloro-2-methyliminochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-methyliminochromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-methyliminochromene-3-carboxamide is C/N=c1\oc2ccc(Cl)cc2cc1C(N)=O.
What is the InChIKey of 6-chloro-2-methyliminochromene-3-carboxamide?
The InChIKey is ZQVQVCIESBSWTQ-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-14-11-8(10(13)15)5-6-4-7(12)2-3-9(6)16-11/h2-5H,1H3,(H2,13,15)/b14-11-.
What are the key properties of 6-chloro-2-methyliminochromene-3-carboxamide?
6-chloro-2-methyliminochromene-3-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyliminochromene-3-carboxamide is sourced from PubChem (CID 658552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).