5-chloro-2-fluoro-4-[1-[(4-methyloxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine

C17H20ClFN2O — CID 141285799

IUPAC5-chloro-2-fluoro-4-[1-[(4-methyloxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine
SMILESCC1(CN2CC=CC=C2c2cc(F)ncc2Cl)CCOCC1
InChIInChI=1S/C17H20ClFN2O/c1-17(5-8-22-9-6-17)12-21-7-3-2-4-15(21)13-10-16(19)20-11-14(13)18/h2-4,10-11H,5-9,12H2,1H3
InChIKeyRPDFHYNEYLTXJF-UHFFFAOYSA-N
MW322.81 g/mol
LogP3.90
Rot. Bonds3

About 5-chloro-2-fluoro-4-[1-[(4-methyloxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine

5-chloro-2-fluoro-4-[1-[(4-methyloxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine (PubChem CID 141285799) has the molecular formula C17H20ClFN2O and a molecular weight of 322.81 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[1-[(4-methyloxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[1-[(4-methyloxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine
PubChem CID141285799
Molecular FormulaC17H20ClFN2O
Molecular Weight322.81 g/mol
Exact Mass322.12
IUPAC Name5-chloro-2-fluoro-4-[1-[(4-methyloxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine
SMILESCC1(CN2CC=CC=C2c2cc(F)ncc2Cl)CCOCC1
InChIInChI=1S/C17H20ClFN2O/c1-17(5-8-22-9-6-17)12-21-7-3-2-4-15(21)13-10-16(19)20-11-14(13)18/h2-4,10-11H,5-9,12H2,1H3
InChIKeyRPDFHYNEYLTXJF-UHFFFAOYSA-N
XLogP3.90
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-Chloro-4-pyridinyl)methyl]-4-(4-fluorophenyl)piperazine
CID 3395886
7-[(3-Chloro-4-pyridinyl)methyl]-2-oxa-7-azaspiro[4.4]nonane
CID 132283596
6-(2-Amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 66955102
6-(2-Amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine
CID 67043456
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
N-[1-(5-chloro-2-fluoro-4-pyridinyl)prop-1-enyl]-N'-[(4-cyanooxan-4-yl)methyl]prop-2-enimidamide
CID 123205003
(2E,4E)-5-(5-chloro-2-fluoro-4-pyridinyl)-2-fluoro-7,8-dimethyl-N-(oxan-4-ylmethyl)cycloocta-2,4-dien-1-imine
CID 123579278
N-[1-(5-chloro-2-fluoro-4-pyridinyl)-3-methylbut-1-enyl]-N'-[(4-cyanooxan-4-yl)methyl]ethanimidamide
CID 123775639

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-[1-[(4-methyloxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine?
The IUPAC name of 5-chloro-2-fluoro-4-[1-[(4-methyloxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine (CID 141285799) is 5-chloro-2-fluoro-4-[1-[(4-methyloxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 5-chloro-2-fluoro-4-[1-[(4-methyloxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 5-chloro-2-fluoro-4-[1-[(4-methyloxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine is CC1(CN2CC=CC=C2c2cc(F)ncc2Cl)CCOCC1.
What is the InChIKey of 5-chloro-2-fluoro-4-[1-[(4-methyloxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine?
The InChIKey is RPDFHYNEYLTXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2O/c1-17(5-8-22-9-6-17)12-21-7-3-2-4-15(21)13-10-16(19)20-11-14(13)18/h2-4,10-11H,5-9,12H2,1H3.
What are the key properties of 5-chloro-2-fluoro-4-[1-[(4-methyloxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine?
5-chloro-2-fluoro-4-[1-[(4-methyloxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine has a molecular weight of 322.81 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-[1-[(4-methyloxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 141285799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).