(5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol

C13H12ClFN2O3 — CID 114853257

IUPAC(5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol
SMILESCOc1cnc(C(O)c2cc(Cl)ccc2F)c(OC)n1
InChIInChI=1S/C13H12ClFN2O3/c1-19-10-6-16-11(13(17-10)20-2)12(18)8-5-7(14)3-4-9(8)15/h3-6,12,18H,1-2H3
InChIKeyPTEKTDFCIJXESK-UHFFFAOYSA-N
MW298.70 g/mol
LogP2.37
Rot. Bonds4

About (5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol

(5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol (PubChem CID 114853257) has the molecular formula C13H12ClFN2O3 and a molecular weight of 298.70 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol
PubChem CID114853257
Molecular FormulaC13H12ClFN2O3
Molecular Weight298.70 g/mol
Exact Mass298.05
IUPAC Name(5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol
SMILESCOc1cnc(C(O)c2cc(Cl)ccc2F)c(OC)n1
InChIInChI=1S/C13H12ClFN2O3/c1-19-10-6-16-11(13(17-10)20-2)12(18)8-5-7(14)3-4-9(8)15/h3-6,12,18H,1-2H3
InChIKeyPTEKTDFCIJXESK-UHFFFAOYSA-N
XLogP2.37
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethoxypyrazin-2-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105123520
(3,5-dimethoxypyrazin-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502705
(5-chloro-2-fluorophenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101123
(3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 105031257
(3,5-dimethoxypyrazin-2-yl)-(1,3-thiazol-4-yl)methanol
CID 113404120
2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine
CID 105031131
2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 114843642
1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine
CID 103517039
(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methanol
CID 107978634
(3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol
CID 106886347
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol
CID 116711920
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol?
The IUPAC name of (5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol (CID 114853257) is (5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol is COc1cnc(C(O)c2cc(Cl)ccc2F)c(OC)n1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol?
The InChIKey is PTEKTDFCIJXESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3/c1-19-10-6-16-11(13(17-10)20-2)12(18)8-5-7(14)3-4-9(8)15/h3-6,12,18H,1-2H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol?
(5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol has a molecular weight of 298.70 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol is sourced from PubChem (CID 114853257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).