7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine

C16H13ClFN3 — CID 157045257

IUPAC7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine
SMILESCc1ccc(-c2nc(Cl)cc3nc(C)c(C)nc23)c(F)c1
InChIInChI=1S/C16H13ClFN3/c1-8-4-5-11(12(18)6-8)15-16-13(7-14(17)21-15)19-9(2)10(3)20-16/h4-7H,1-3H3
InChIKeyVACHVSCNORKMMR-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.41
Rot. Bonds1

About 7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine

7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine (PubChem CID 157045257) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine
PubChem CID157045257
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine
SMILESCc1ccc(-c2nc(Cl)cc3nc(C)c(C)nc23)c(F)c1
InChIInChI=1S/C16H13ClFN3/c1-8-4-5-11(12(18)6-8)15-16-13(7-14(17)21-15)19-9(2)10(3)20-16/h4-7H,1-3H3
InChIKeyVACHVSCNORKMMR-UHFFFAOYSA-N
XLogP4.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine
CID 157044809
7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine
CID 157045220
4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline
CID 114589505
5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole
CID 157045738
2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene
CID 139847087
4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine
CID 141218795
2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 114770871
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine
CID 157045169
4-chloro-5-fluoro-2-(2-fluoro-4-methylphenyl)quinazoline
CID 114590211
2-fluoro-4-methyl-1-(3-methylphenyl)benzene
CID 142157742
4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine
CID 166122261
2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine?
The IUPAC name of 7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine (CID 157045257) is 7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine.
What is the SMILES notation for 7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine?
The canonical SMILES for 7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine is Cc1ccc(-c2nc(Cl)cc3nc(C)c(C)nc23)c(F)c1.
What is the InChIKey of 7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine?
The InChIKey is VACHVSCNORKMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-8-4-5-11(12(18)6-8)15-16-13(7-14(17)21-15)19-9(2)10(3)20-16/h4-7H,1-3H3.
What are the key properties of 7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine?
7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine has a molecular weight of 301.75 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine is sourced from PubChem (CID 157045257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).