5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine

C11H9BrClFN4 — CID 90070689

IUPAC5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1NCc1c(F)cccc1Cl
InChIInChI=1S/C11H9BrClFN4/c12-9-5-16-10(15)11(18-9)17-4-6-7(13)2-1-3-8(6)14/h1-3,5H,4H2,(H2,15,16)(H,17,18)
InChIKeyWCJFNXAFGUERGH-UHFFFAOYSA-N
MW331.58 g/mol
LogP3.23
Rot. Bonds3

About 5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine

5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine (PubChem CID 90070689) has the molecular formula C11H9BrClFN4 and a molecular weight of 331.58 g/mol. Its IUPAC name is 5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine
PubChem CID90070689
Molecular FormulaC11H9BrClFN4
Molecular Weight331.58 g/mol
Exact Mass329.97
IUPAC Name5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1NCc1c(F)cccc1Cl
InChIInChI=1S/C11H9BrClFN4/c12-9-5-16-10(15)11(18-9)17-4-6-7(13)2-1-3-8(6)14/h1-3,5H,4H2,(H2,15,16)(H,17,18)
InChIKeyWCJFNXAFGUERGH-UHFFFAOYSA-N
XLogP3.23
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.58
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-amino-6-[(2-chloro-6-fluorophenyl)methylamino]pyrazin-2-yl]benzaldehyde
CID 90020140
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine
CID 116783440
5-bromo-3-[(2-chloro-6-fluorophenyl)methoxy]pyridin-2-amine
CID 21111493
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320
N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine
CID 962179
2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline
CID 107598297
2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 134699655
N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine
CID 43539940
3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine
CID 121204707
5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine
CID 142987140
N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine
CID 62636135
5-bromo-2-[(2-chloro-6-fluorophenyl)methylamino]benzonitrile
CID 82708487

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine?
The IUPAC name of 5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine (CID 90070689) is 5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine.
What is the SMILES notation for 5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine?
The canonical SMILES for 5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine is Nc1ncc(Br)nc1NCc1c(F)cccc1Cl.
What is the InChIKey of 5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine?
The InChIKey is WCJFNXAFGUERGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClFN4/c12-9-5-16-10(15)11(18-9)17-4-6-7(13)2-1-3-8(6)14/h1-3,5H,4H2,(H2,15,16)(H,17,18).
What are the key properties of 5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine?
5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine has a molecular weight of 331.58 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine is sourced from PubChem (CID 90070689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).