N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine

C11H9BrFN3 — CID 149012639

IUPACN-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine
SMILESFc1cc(Br)ccc1CNc1cnccn1
InChIInChI=1S/C11H9BrFN3/c12-9-2-1-8(10(13)5-9)6-16-11-7-14-3-4-15-11/h1-5,7H,6H2,(H,15,16)
InChIKeyQBVIKTVSFCMZGJ-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.99
Rot. Bonds3

About N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine

N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine (PubChem CID 149012639) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine
PubChem CID149012639
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine
SMILESFc1cc(Br)ccc1CNc1cnccn1
InChIInChI=1S/C11H9BrFN3/c12-9-2-1-8(10(13)5-9)6-16-11-7-14-3-4-15-11/h1-5,7H,6H2,(H,15,16)
InChIKeyQBVIKTVSFCMZGJ-UHFFFAOYSA-N
XLogP2.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82812048
N-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyrimidin-2-amine
CID 133309861
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine
CID 43689958
N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 43093210
N-[(4-bromo-2-fluorophenyl)methyl]thiadiazol-5-amine
CID 107234481
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole
CID 171846633
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
CID 114841331
N-[(4-bromo-2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167521
N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733054
N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55194295

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine (CID 149012639) is N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine is Fc1cc(Br)ccc1CNc1cnccn1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine?
The InChIKey is QBVIKTVSFCMZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c12-9-2-1-8(10(13)5-9)6-16-11-7-14-3-4-15-11/h1-5,7H,6H2,(H,15,16).
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine?
N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine has a molecular weight of 282.12 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 149012639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).