(2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine

C12H11F2N3O — CID 105032053

IUPAC(2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
SMILESCOc1nccnc1C(N)c1cccc(F)c1F
InChIInChI=1S/C12H11F2N3O/c1-18-12-11(16-5-6-17-12)10(15)7-3-2-4-8(13)9(7)14/h2-6,10H,15H2,1H3
InChIKeyPOHVXSCORBNUFZ-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.81
Rot. Bonds3

About (2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine

(2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine (PubChem CID 105032053) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
PubChem CID105032053
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name(2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
SMILESCOc1nccnc1C(N)c1cccc(F)c1F
InChIInChI=1S/C12H11F2N3O/c1-18-12-11(16-5-6-17-12)10(15)7-3-2-4-8(13)9(7)14/h2-6,10H,15H2,1H3
InChIKeyPOHVXSCORBNUFZ-UHFFFAOYSA-N
XLogP1.81
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 104515551
(2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 107538859
(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82730897
2-(2,3-difluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105137687
(2,6-dimethyl-3-pyridinyl)-(3-methoxypyrazin-2-yl)methanamine
CID 105178660
(3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol
CID 114020210
(3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 104515565
(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054772
(3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine
CID 104515940
1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515629
N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104515889
(2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530464

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine?
The IUPAC name of (2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine (CID 105032053) is (2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine.
What is the SMILES notation for (2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine?
The canonical SMILES for (2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine is COc1nccnc1C(N)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine?
The InChIKey is POHVXSCORBNUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-18-12-11(16-5-6-17-12)10(15)7-3-2-4-8(13)9(7)14/h2-6,10H,15H2,1H3.
What are the key properties of (2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine?
(2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine has a molecular weight of 251.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine is sourced from PubChem (CID 105032053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).