(3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine

C12H11ClFN3O — CID 104515565

IUPAC(3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
SMILESCOc1nccnc1C(N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFN3O/c1-18-12-11(16-4-5-17-12)10(15)7-2-3-9(14)8(13)6-7/h2-6,10H,15H2,1H3
InChIKeyFDWKOTSJAYHEQM-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.33
Rot. Bonds3

About (3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine

(3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine (PubChem CID 104515565) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
PubChem CID104515565
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name(3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
SMILESCOc1nccnc1C(N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFN3O/c1-18-12-11(16-4-5-17-12)10(15)7-2-3-9(14)8(13)6-7/h2-6,10H,15H2,1H3
InChIKeyFDWKOTSJAYHEQM-UHFFFAOYSA-N
XLogP2.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 113421651
(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 105031995
(2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 104515551
(2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 107538859
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491
(2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 105032053
(5-chlorothiophen-2-yl)-(3-methoxypyrazin-2-yl)methanamine
CID 105031917
(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 63093313
(1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246807
(S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 71165432
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
CID 104514714
(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822542

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine?
The IUPAC name of (3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine (CID 104515565) is (3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine is COc1nccnc1C(N)c1ccc(F)c(Cl)c1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine?
The InChIKey is FDWKOTSJAYHEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-18-12-11(16-4-5-17-12)10(15)7-2-3-9(14)8(13)6-7/h2-6,10H,15H2,1H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine?
(3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine has a molecular weight of 267.69 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine is sourced from PubChem (CID 104515565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).