2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride

C17H22ClF3I2N4O2 — CID 158011837

IUPAC2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride
SMILESC.Cl.Fc1cc(I)cc(F)n1.Fc1cc(I)cc(NC2COC2)n1.NC1COC1
InChIInChI=1S/C8H8FIN2O.C5H2F2IN.C3H7NO.CH4.ClH/c9-7-1-5(10)2-8(12-7)11-6-3-13-4-6;6-4-1-3(8)2-5(7)9-4;4-3-1-5-2-3;;/h1-2,6H,3-4H2,(H,11,12);1-2H;3H,1-2,4H2;1H4;1H
InChIKeyUWQYIEMUQCYFDI-UHFFFAOYSA-N
MW660.64 g/mol
LogP4.00
Rot. Bonds2

About 2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride

2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride (PubChem CID 158011837) has the molecular formula C17H22ClF3I2N4O2 and a molecular weight of 660.64 g/mol. Its IUPAC name is 2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride.

Molecular Properties

Compound Name2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride
PubChem CID158011837
Molecular FormulaC17H22ClF3I2N4O2
Molecular Weight660.64 g/mol
Exact Mass659.95
IUPAC Name2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride
SMILESC.Cl.Fc1cc(I)cc(F)n1.Fc1cc(I)cc(NC2COC2)n1.NC1COC1
InChIInChI=1S/C8H8FIN2O.C5H2F2IN.C3H7NO.CH4.ClH/c9-7-1-5(10)2-8(12-7)11-6-3-13-4-6;6-4-1-3(8)2-5(7)9-4;4-3-1-5-2-3;;/h1-2,6H,3-4H2,(H,11,12);1-2H;3H,1-2,4H2;1H4;1H
InChIKeyUWQYIEMUQCYFDI-UHFFFAOYSA-N
XLogP4.00
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500660.64
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(6-fluoro-4-iodo-2-pyridinyl)hydrazine
CID 154642539
4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol
CID 159954649
N-(1,4-dioxepan-6-yl)-2-fluoropyrimidin-4-amine
CID 164645316
4-[(4,4-difluorocyclohexyl)amino]-6-(oxetan-3-ylamino)pyrimidine-2-carbaldehyde
CID 162606808
2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 140802487
N-(5-chloro-2-fluorophenyl)oxetan-3-amine
CID 63624205
N-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine
CID 164878073
2-(azetidin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 90245533
N-(2-fluoro-4-methylphenyl)oxetan-3-amine
CID 63622533
N-(4-chloro-3-fluorophenyl)oxetan-3-amine
CID 63623661
(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-2-amine;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3R)-oxan-3-amine;sulfane;hydrochloride
CID 162194532
6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624837

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride?
The IUPAC name of 2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride (CID 158011837) is 2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride.
What is the SMILES notation for 2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride?
The canonical SMILES for 2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride is C.Cl.Fc1cc(I)cc(F)n1.Fc1cc(I)cc(NC2COC2)n1.NC1COC1.
What is the InChIKey of 2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride?
The InChIKey is UWQYIEMUQCYFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FIN2O.C5H2F2IN.C3H7NO.CH4.ClH/c9-7-1-5(10)2-8(12-7)11-6-3-13-4-6;6-4-1-3(8)2-5(7)9-4;4-3-1-5-2-3;;/h1-2,6H,3-4H2,(H,11,12);1-2H;3H,1-2,4H2;1H4;1H.
What are the key properties of 2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride?
2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride has a molecular weight of 660.64 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride is sourced from PubChem (CID 158011837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).