6-(5-chloro-2-fluoro-4-pyridinyl)-1-(oxan-4-ylmethyl)-2H-pyrazine

C15H17ClFN3O — CID 141286951

IUPAC6-(5-chloro-2-fluoro-4-pyridinyl)-1-(oxan-4-ylmethyl)-2H-pyrazine
SMILESFc1cc(C2=CN=CCN2CC2CCOCC2)c(Cl)cn1
InChIInChI=1S/C15H17ClFN3O/c16-13-8-19-15(17)7-12(13)14-9-18-3-4-20(14)10-11-1-5-21-6-2-11/h3,7-9,11H,1-2,4-6,10H2
InChIKeyKCGTVPMZEOQOOK-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.99
Rot. Bonds3

About 6-(5-chloro-2-fluoro-4-pyridinyl)-1-(oxan-4-ylmethyl)-2H-pyrazine

6-(5-chloro-2-fluoro-4-pyridinyl)-1-(oxan-4-ylmethyl)-2H-pyrazine (PubChem CID 141286951) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 6-(5-chloro-2-fluoro-4-pyridinyl)-1-(oxan-4-ylmethyl)-2H-pyrazine.

Molecular Properties

Compound Name6-(5-chloro-2-fluoro-4-pyridinyl)-1-(oxan-4-ylmethyl)-2H-pyrazine
PubChem CID141286951
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name6-(5-chloro-2-fluoro-4-pyridinyl)-1-(oxan-4-ylmethyl)-2H-pyrazine
SMILESFc1cc(C2=CN=CCN2CC2CCOCC2)c(Cl)cn1
InChIInChI=1S/C15H17ClFN3O/c16-13-8-19-15(17)7-12(13)14-9-18-3-4-20(14)10-11-1-5-21-6-2-11/h3,7-9,11H,1-2,4-6,10H2
InChIKeyKCGTVPMZEOQOOK-UHFFFAOYSA-N
XLogP2.99
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-[(3-Chloro-4-pyridinyl)methyl]-2-oxa-7-azaspiro[4.4]nonane
CID 132283596
N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methoxy-1-(oxan-4-yl)methanamine
CID 136559144
3-(5-chloro-2-fluoropyridin-4-yl)-5-fluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)aniline
CID 67033472
5'-chloro-2'-fluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)-3,4'-bipyridin-5-amine
CID 67043256
6-(2-Amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine
CID 67043456
6-(2-Amino-3-fluoro-4-pyridinyl)-5-chloro-6-fluoro-1-(oxan-4-ylmethyl)pyridin-2-amine
CID 68276184
6-(2-Amino-3-chloro-4-pyridinyl)-5-chloro-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine
CID 68296820
6-(3-chloro-4-pyridinyl)-3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]-1H-pyridin-2-amine
CID 68296864
3-(5-chloro-2-fluoro-4-pyridinyl)-4-fluoro-N-(oxan-4-ylmethyl)aniline
CID 69674805
CID 88919762
CID 88919762
CID 89784527
CID 89784527
3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine
CID 123194440

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-fluoro-4-pyridinyl)-1-(oxan-4-ylmethyl)-2H-pyrazine?
The IUPAC name of 6-(5-chloro-2-fluoro-4-pyridinyl)-1-(oxan-4-ylmethyl)-2H-pyrazine (CID 141286951) is 6-(5-chloro-2-fluoro-4-pyridinyl)-1-(oxan-4-ylmethyl)-2H-pyrazine.
What is the SMILES notation for 6-(5-chloro-2-fluoro-4-pyridinyl)-1-(oxan-4-ylmethyl)-2H-pyrazine?
The canonical SMILES for 6-(5-chloro-2-fluoro-4-pyridinyl)-1-(oxan-4-ylmethyl)-2H-pyrazine is Fc1cc(C2=CN=CCN2CC2CCOCC2)c(Cl)cn1.
What is the InChIKey of 6-(5-chloro-2-fluoro-4-pyridinyl)-1-(oxan-4-ylmethyl)-2H-pyrazine?
The InChIKey is KCGTVPMZEOQOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c16-13-8-19-15(17)7-12(13)14-9-18-3-4-20(14)10-11-1-5-21-6-2-11/h3,7-9,11H,1-2,4-6,10H2.
What are the key properties of 6-(5-chloro-2-fluoro-4-pyridinyl)-1-(oxan-4-ylmethyl)-2H-pyrazine?
6-(5-chloro-2-fluoro-4-pyridinyl)-1-(oxan-4-ylmethyl)-2H-pyrazine has a molecular weight of 309.77 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluoro-4-pyridinyl)-1-(oxan-4-ylmethyl)-2H-pyrazine is sourced from PubChem (CID 141286951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).