6-chloro-3-methylquinoxaline-2-carbaldehyde

C10H7ClN2O — CID 132512658

IUPAC6-chloro-3-methylquinoxaline-2-carbaldehyde
SMILESCc1nc2cc(Cl)ccc2nc1C=O
InChIInChI=1S/C10H7ClN2O/c1-6-10(5-14)13-8-3-2-7(11)4-9(8)12-6/h2-5H,1H3
InChIKeyHICBVCDIRJNUFK-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.40
Rot. Bonds1

About 6-chloro-3-methylquinoxaline-2-carbaldehyde

6-chloro-3-methylquinoxaline-2-carbaldehyde (PubChem CID 132512658) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 6-chloro-3-methylquinoxaline-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-3-methylquinoxaline-2-carbaldehyde
PubChem CID132512658
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name6-chloro-3-methylquinoxaline-2-carbaldehyde
SMILESCc1nc2cc(Cl)ccc2nc1C=O
InChIInChI=1S/C10H7ClN2O/c1-6-10(5-14)13-8-3-2-7(11)4-9(8)12-6/h2-5H,1H3
InChIKeyHICBVCDIRJNUFK-UHFFFAOYSA-N
XLogP2.40
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methylquinoxaline-2-carbaldehyde
CID 588800
3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde
CID 87324786
(7-chloro-3-methylquinoxalin-2-yl)methanamine
CID 117274858
2,3,8-trichloroquinoxalino[2,3-b]quinoxaline
CID 101466553
2-bromo-8-chlorophenazine
CID 119028483
3-bromo-7-chloro-2-methylquinoline
CID 151670813
7-chloro-2-methylquinolin-3-amine
CID 72942962
2-chloro-10-nitrophenanthridine-6-carbaldehyde
CID 174429205
5-chloro-1-propan-2-ylbenzimidazole-2-carbaldehyde
CID 50877058
2-(6-chloro-3-methylquinoxalin-2-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 22341086
6-chloro-1-methylbenzimidazole-2-carbaldehyde
CID 45078056
3-chloro-6-methylphenanthridine
CID 22482295

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methylquinoxaline-2-carbaldehyde?
The IUPAC name of 6-chloro-3-methylquinoxaline-2-carbaldehyde (CID 132512658) is 6-chloro-3-methylquinoxaline-2-carbaldehyde.
What is the SMILES notation for 6-chloro-3-methylquinoxaline-2-carbaldehyde?
The canonical SMILES for 6-chloro-3-methylquinoxaline-2-carbaldehyde is Cc1nc2cc(Cl)ccc2nc1C=O.
What is the InChIKey of 6-chloro-3-methylquinoxaline-2-carbaldehyde?
The InChIKey is HICBVCDIRJNUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c1-6-10(5-14)13-8-3-2-7(11)4-9(8)12-6/h2-5H,1H3.
What are the key properties of 6-chloro-3-methylquinoxaline-2-carbaldehyde?
6-chloro-3-methylquinoxaline-2-carbaldehyde has a molecular weight of 206.63 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methylquinoxaline-2-carbaldehyde is sourced from PubChem (CID 132512658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).