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

C18H21ClF2N2O — CID 141285744

IUPAC5-chloro-4-[1-[(4-ethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine
SMILESCCC1(CN2CC(F)=CC=C2c2cc(F)ncc2Cl)CCOCC1
InChIInChI=1S/C18H21ClF2N2O/c1-2-18(5-7-24-8-6-18)12-23-11-13(20)3-4-16(23)14-9-17(21)22-10-15(14)19/h3-4,9-10H,2,5-8,11-12H2,1H3
InChIKeyWWQJQZRKSMKSNX-UHFFFAOYSA-N
MW354.83 g/mol
LogP4.59
Rot. Bonds4

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

5-chloro-4-[1-[(4-ethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine (PubChem CID 141285744) has the molecular formula C18H21ClF2N2O and a molecular weight of 354.83 g/mol. Its IUPAC name is 5-chloro-4-[1-[(4-ethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine.

Molecular Properties

Compound Name5-chloro-4-[1-[(4-ethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine
PubChem CID141285744
Molecular FormulaC18H21ClF2N2O
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name5-chloro-4-[1-[(4-ethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine
SMILESCCC1(CN2CC(F)=CC=C2c2cc(F)ncc2Cl)CCOCC1
InChIInChI=1S/C18H21ClF2N2O/c1-2-18(5-7-24-8-6-18)12-23-11-13(20)3-4-16(23)14-9-17(21)22-10-15(14)19/h3-4,9-10H,2,5-8,11-12H2,1H3
InChIKeyWWQJQZRKSMKSNX-UHFFFAOYSA-N
XLogP4.59
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

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
3-(5-chloro-2-fluoropyridin-4-yl)-5-fluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)aniline
CID 67033472
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-4-[1-[(4-ethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine?
The IUPAC name of 5-chloro-4-[1-[(4-ethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine (CID 141285744) is 5-chloro-4-[1-[(4-ethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine.
What is the SMILES notation for 5-chloro-4-[1-[(4-ethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine?
The canonical SMILES for 5-chloro-4-[1-[(4-ethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine is CCC1(CN2CC(F)=CC=C2c2cc(F)ncc2Cl)CCOCC1.
What is the InChIKey of 5-chloro-4-[1-[(4-ethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine?
The InChIKey is WWQJQZRKSMKSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF2N2O/c1-2-18(5-7-24-8-6-18)12-23-11-13(20)3-4-16(23)14-9-17(21)22-10-15(14)19/h3-4,9-10H,2,5-8,11-12H2,1H3.
What are the key properties of 5-chloro-4-[1-[(4-ethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine?
5-chloro-4-[1-[(4-ethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine has a molecular weight of 354.83 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-[(4-ethyloxan-4-yl)methyl]-3-fluoro-2H-pyridin-6-yl]-2-fluoropyridine is sourced from PubChem (CID 141285744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).