7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine

C14H8ClF2N3 — CID 157044809

IUPAC7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine
SMILESCc1cnc2c(-c3ccc(F)cc3F)nc(Cl)cc2n1
InChIInChI=1S/C14H8ClF2N3/c1-7-6-18-14-11(19-7)5-12(15)20-13(14)9-3-2-8(16)4-10(9)17/h2-6H,1H3
InChIKeyRKOZCPYDPVYEGJ-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.93
Rot. Bonds1

About 7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine

7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine (PubChem CID 157044809) has the molecular formula C14H8ClF2N3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine
PubChem CID157044809
Molecular FormulaC14H8ClF2N3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine
SMILESCc1cnc2c(-c3ccc(F)cc3F)nc(Cl)cc2n1
InChIInChI=1S/C14H8ClF2N3/c1-7-6-18-14-11(19-7)5-12(15)20-13(14)9-3-2-8(16)4-10(9)17/h2-6H,1H3
InChIKeyRKOZCPYDPVYEGJ-UHFFFAOYSA-N
XLogP3.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.93
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-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine
CID 157045257
7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine
CID 157045220
4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine;2-methylpyridine
CID 157045652
7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine
CID 157045292
2,5-dichloro-4-(2,4-difluorophenyl)pyrimidine
CID 171627408
5-(4-chloro-2-fluorophenyl)-2-methyl-7-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[3,4-b]pyrazine
CID 157045194
5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane
CID 157045039
5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid
CID 156842759
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine
CID 157045169
6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine
CID 166121869
4-chloro-6-(2,4-difluorophenyl)-5-methyl-2-propylpyrimidine
CID 80974834
4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine
CID 18763622

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine?
The IUPAC name of 7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine (CID 157044809) is 7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine.
What is the SMILES notation for 7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine?
The canonical SMILES for 7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine is Cc1cnc2c(-c3ccc(F)cc3F)nc(Cl)cc2n1.
What is the InChIKey of 7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine?
The InChIKey is RKOZCPYDPVYEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3/c1-7-6-18-14-11(19-7)5-12(15)20-13(14)9-3-2-8(16)4-10(9)17/h2-6H,1H3.
What are the key properties of 7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine?
7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine has a molecular weight of 291.69 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine is sourced from PubChem (CID 157044809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).