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

C16H19ClFN3O — CID 141286298

IUPAC6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-1-(oxan-4-ylmethyl)-2H-pyrazine
SMILESCC1=C(c2cc(F)ncc2Cl)N(CC2CCOCC2)CC=N1
InChIInChI=1S/C16H19ClFN3O/c1-11-16(13-8-15(18)20-9-14(13)17)21(5-4-19-11)10-12-2-6-22-7-3-12/h4,8-9,12H,2-3,5-7,10H2,1H3
InChIKeyGZHVASKMUNNQKE-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.38
Rot. Bonds3

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

6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-1-(oxan-4-ylmethyl)-2H-pyrazine (PubChem CID 141286298) has the molecular formula C16H19ClFN3O and a molecular weight of 323.80 g/mol. Its IUPAC name is 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-1-(oxan-4-ylmethyl)-2H-pyrazine.

Molecular Properties

Compound Name6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-1-(oxan-4-ylmethyl)-2H-pyrazine
PubChem CID141286298
Molecular FormulaC16H19ClFN3O
Molecular Weight323.80 g/mol
Exact Mass323.12
IUPAC Name6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-1-(oxan-4-ylmethyl)-2H-pyrazine
SMILESCC1=C(c2cc(F)ncc2Cl)N(CC2CCOCC2)CC=N1
InChIInChI=1S/C16H19ClFN3O/c1-11-16(13-8-15(18)20-9-14(13)17)21(5-4-19-11)10-12-2-6-22-7-3-12/h4,8-9,12H,2-3,5-7,10H2,1H3
InChIKeyGZHVASKMUNNQKE-UHFFFAOYSA-N
XLogP3.38
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.38
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

4-(1-{1-[(3,5-Dichloro-4-pyridinyl)methyl]-4-piperidinyl}ethyl)morpholine
CID 70766602
N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methoxy-1-(oxan-4-yl)methanamine
CID 136559144
6-(2-Amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 66955102
3-(5-chloro-2-fluoropyridin-4-yl)-5-fluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)aniline
CID 67033472
[3-(5-Chloro-2-fluoro-pyridin-4-yl)-phenyl]-(tetrahydro-pyran-4-ylmethyl)-carbamic acid tert-butyl ester
CID 67034552
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

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-1-(oxan-4-ylmethyl)-2H-pyrazine?
The IUPAC name of 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-1-(oxan-4-ylmethyl)-2H-pyrazine (CID 141286298) is 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-1-(oxan-4-ylmethyl)-2H-pyrazine.
What is the SMILES notation for 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-1-(oxan-4-ylmethyl)-2H-pyrazine?
The canonical SMILES for 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-1-(oxan-4-ylmethyl)-2H-pyrazine is CC1=C(c2cc(F)ncc2Cl)N(CC2CCOCC2)CC=N1.
What is the InChIKey of 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-1-(oxan-4-ylmethyl)-2H-pyrazine?
The InChIKey is GZHVASKMUNNQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O/c1-11-16(13-8-15(18)20-9-14(13)17)21(5-4-19-11)10-12-2-6-22-7-3-12/h4,8-9,12H,2-3,5-7,10H2,1H3.
What are the key properties of 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-1-(oxan-4-ylmethyl)-2H-pyrazine?
6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-1-(oxan-4-ylmethyl)-2H-pyrazine has a molecular weight of 323.80 g/mol, XLogP of 3.38, 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)-5-methyl-1-(oxan-4-ylmethyl)-2H-pyrazine is sourced from PubChem (CID 141286298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).