5-chloro-2-fluoro-4-[3-fluoro-1-(oxan-4-ylmethyl)-2H-pyridin-6-yl]pyridine

C16H17ClF2N2O — CID 141285764

IUPAC5-chloro-2-fluoro-4-[3-fluoro-1-(oxan-4-ylmethyl)-2H-pyridin-6-yl]pyridine
SMILESFC1=CC=C(c2cc(F)ncc2Cl)N(CC2CCOCC2)C1
InChIInChI=1S/C16H17ClF2N2O/c17-14-8-20-16(19)7-13(14)15-2-1-12(18)10-21(15)9-11-3-5-22-6-4-11/h1-2,7-8,11H,3-6,9-10H2
InChIKeyYDOMELFKBOJCAY-UHFFFAOYSA-N
MW326.77 g/mol
LogP3.81
Rot. Bonds3

About 5-chloro-2-fluoro-4-[3-fluoro-1-(oxan-4-ylmethyl)-2H-pyridin-6-yl]pyridine

5-chloro-2-fluoro-4-[3-fluoro-1-(oxan-4-ylmethyl)-2H-pyridin-6-yl]pyridine (PubChem CID 141285764) has the molecular formula C16H17ClF2N2O and a molecular weight of 326.77 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[3-fluoro-1-(oxan-4-ylmethyl)-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[3-fluoro-1-(oxan-4-ylmethyl)-2H-pyridin-6-yl]pyridine
PubChem CID141285764
Molecular FormulaC16H17ClF2N2O
Molecular Weight326.77 g/mol
Exact Mass326.10
IUPAC Name5-chloro-2-fluoro-4-[3-fluoro-1-(oxan-4-ylmethyl)-2H-pyridin-6-yl]pyridine
SMILESFC1=CC=C(c2cc(F)ncc2Cl)N(CC2CCOCC2)C1
InChIInChI=1S/C16H17ClF2N2O/c17-14-8-20-16(19)7-13(14)15-2-1-12(18)10-21(15)9-11-3-5-22-6-4-11/h1-2,7-8,11H,3-6,9-10H2
InChIKeyYDOMELFKBOJCAY-UHFFFAOYSA-N
XLogP3.81
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 53.81
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
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)-4-fluoro-phenyl]-(tetrahydro-pyran-4-ylmethyl)-carbamic acid tert-butyl ester
CID 67033583
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
5'-chloro-2',6-difluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)-3,4'-bipyridin-5-amine
CID 69673730
3-(5-chloro-2-fluoro-4-pyridinyl)-4-fluoro-N-(oxan-4-ylmethyl)aniline
CID 69674805
5',6-dichloro-2'-fluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)-3,4'-bipyridin-5-amine
CID 86653904

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-[3-fluoro-1-(oxan-4-ylmethyl)-2H-pyridin-6-yl]pyridine?
The IUPAC name of 5-chloro-2-fluoro-4-[3-fluoro-1-(oxan-4-ylmethyl)-2H-pyridin-6-yl]pyridine (CID 141285764) is 5-chloro-2-fluoro-4-[3-fluoro-1-(oxan-4-ylmethyl)-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 5-chloro-2-fluoro-4-[3-fluoro-1-(oxan-4-ylmethyl)-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 5-chloro-2-fluoro-4-[3-fluoro-1-(oxan-4-ylmethyl)-2H-pyridin-6-yl]pyridine is FC1=CC=C(c2cc(F)ncc2Cl)N(CC2CCOCC2)C1.
What is the InChIKey of 5-chloro-2-fluoro-4-[3-fluoro-1-(oxan-4-ylmethyl)-2H-pyridin-6-yl]pyridine?
The InChIKey is YDOMELFKBOJCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N2O/c17-14-8-20-16(19)7-13(14)15-2-1-12(18)10-21(15)9-11-3-5-22-6-4-11/h1-2,7-8,11H,3-6,9-10H2.
What are the key properties of 5-chloro-2-fluoro-4-[3-fluoro-1-(oxan-4-ylmethyl)-2H-pyridin-6-yl]pyridine?
5-chloro-2-fluoro-4-[3-fluoro-1-(oxan-4-ylmethyl)-2H-pyridin-6-yl]pyridine has a molecular weight of 326.77 g/mol, XLogP of 3.81, 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-[3-fluoro-1-(oxan-4-ylmethyl)-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 141285764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).