5-chloro-4-[1-[(2,2-dimethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine

C18H21ClF2N2O — CID 141285765

IUPAC5-chloro-4-[1-[(2,2-dimethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine
SMILESCC1(C)CC(CN2CC(F)=CC=C2c2cc(F)ncc2Cl)CCO1
InChIInChI=1S/C18H21ClF2N2O/c1-18(2)8-12(5-6-24-18)10-23-11-13(20)3-4-16(23)14-7-17(21)22-9-15(14)19/h3-4,7,9,12H,5-6,8,10-11H2,1-2H3
InChIKeyUQHFCMIEUGISTF-UHFFFAOYSA-N
MW354.83 g/mol
LogP4.59
Rot. Bonds3

About 5-chloro-4-[1-[(2,2-dimethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine

5-chloro-4-[1-[(2,2-dimethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine (PubChem CID 141285765) has the molecular formula C18H21ClF2N2O and a molecular weight of 354.83 g/mol. Its IUPAC name is 5-chloro-4-[1-[(2,2-dimethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine.

Molecular Properties

Compound Name5-chloro-4-[1-[(2,2-dimethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine
PubChem CID141285765
Molecular FormulaC18H21ClF2N2O
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name5-chloro-4-[1-[(2,2-dimethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine
SMILESCC1(C)CC(CN2CC(F)=CC=C2c2cc(F)ncc2Cl)CCO1
InChIInChI=1S/C18H21ClF2N2O/c1-18(2)8-12(5-6-24-18)10-23-11-13(20)3-4-16(23)14-7-17(21)22-9-15(14)19/h3-4,7,9,12H,5-6,8,10-11H2,1-2H3
InChIKeyUQHFCMIEUGISTF-UHFFFAOYSA-N
XLogP4.59
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 54.59
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

2-Chloro-5-(2-ethoxy-1,1,2,2-tetrafluoroethyl)pyridine
CID 132353759
1-[8-[(3-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 124038661
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
[3-(5-Chloro-2-fluoro-pyridin-4-yl)-phenyl]-(tetrahydro-pyran-4-ylmethyl)-carbamic acid tert-butyl ester
CID 67034552
4-[4-[(1-Tert-butylpiperidin-4-yl)methoxy]cyclohexen-1-yl]-3-fluoropyridine
CID 68385239
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
2,5'-dichloro-N-((2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl)-2'-fluoro-3,4'-bipyridin-5-amine
CID 86704055
CID 88919762
CID 88919762
(3R,4Z,6Z)-N-[(5-chloro-6-fluoro-3-pyridinyl)methyl]-3-[2-(1-methylcyclopentyl)oxyethyl]-4-(methylideneamino)octa-4,6-dien-1-amine
CID 88951189
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 5-chloro-4-[1-[(2,2-dimethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine?
The IUPAC name of 5-chloro-4-[1-[(2,2-dimethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine (CID 141285765) is 5-chloro-4-[1-[(2,2-dimethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine.
What is the SMILES notation for 5-chloro-4-[1-[(2,2-dimethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine?
The canonical SMILES for 5-chloro-4-[1-[(2,2-dimethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine is CC1(C)CC(CN2CC(F)=CC=C2c2cc(F)ncc2Cl)CCO1.
What is the InChIKey of 5-chloro-4-[1-[(2,2-dimethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine?
The InChIKey is UQHFCMIEUGISTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF2N2O/c1-18(2)8-12(5-6-24-18)10-23-11-13(20)3-4-16(23)14-7-17(21)22-9-15(14)19/h3-4,7,9,12H,5-6,8,10-11H2,1-2H3.
What are the key properties of 5-chloro-4-[1-[(2,2-dimethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine?
5-chloro-4-[1-[(2,2-dimethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine has a molecular weight of 354.83 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-[(2,2-dimethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine is sourced from PubChem (CID 141285765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).