2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine

C21H29FI2N4O — CID 164996210

IUPAC2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine
SMILESC1CCNCC1.Cc1cc(I)cc(F)n1.Cc1cc(I)cc(N2CCOCC2)n1
InChIInChI=1S/C10H13IN2O.C6H5FIN.C5H11N/c1-8-6-9(11)7-10(12-8)13-2-4-14-5-3-13;1-4-2-5(8)3-6(7)9-4;1-2-4-6-5-3-1/h6-7H,2-5H2,1H3;2-3H,1H3;6H,1-5H2
InChIKeyHOZMVIOAFADOQZ-UHFFFAOYSA-N
MW626.30 g/mol
LogP4.72
Rot. Bonds1

About 2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine

2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine (PubChem CID 164996210) has the molecular formula C21H29FI2N4O and a molecular weight of 626.30 g/mol. Its IUPAC name is 2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine.

Molecular Properties

Compound Name2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine
PubChem CID164996210
Molecular FormulaC21H29FI2N4O
Molecular Weight626.30 g/mol
Exact Mass626.04
IUPAC Name2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine
SMILESC1CCNCC1.Cc1cc(I)cc(F)n1.Cc1cc(I)cc(N2CCOCC2)n1
InChIInChI=1S/C10H13IN2O.C6H5FIN.C5H11N/c1-8-6-9(11)7-10(12-8)13-2-4-14-5-3-13;1-4-2-5(8)3-6(7)9-4;1-2-4-6-5-3-1/h6-7H,2-5H2,1H3;2-3H,1H3;6H,1-5H2
InChIKeyHOZMVIOAFADOQZ-UHFFFAOYSA-N
XLogP4.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.30
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine with MolForge

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Launch Full Analysis

Related Compounds

ethane;4-(6-fluoro-4-methyl-2-pyridinyl)morpholine
CID 155700248
N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine
CID 158649137
4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine
CID 162764791
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
N-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-2,2-dimethylpropanamide
CID 91465686
2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine
CID 169091956
4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane
CID 157234853
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
(2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol
CID 155160945
(2S)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-2-ol
CID 155160455
azane;4-(6-methyl-2-pyridinyl)morpholine
CID 175085700

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine?
The IUPAC name of 2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine (CID 164996210) is 2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine.
What is the SMILES notation for 2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine?
The canonical SMILES for 2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine is C1CCNCC1.Cc1cc(I)cc(F)n1.Cc1cc(I)cc(N2CCOCC2)n1.
What is the InChIKey of 2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine?
The InChIKey is HOZMVIOAFADOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O.C6H5FIN.C5H11N/c1-8-6-9(11)7-10(12-8)13-2-4-14-5-3-13;1-4-2-5(8)3-6(7)9-4;1-2-4-6-5-3-1/h6-7H,2-5H2,1H3;2-3H,1H3;6H,1-5H2.
What are the key properties of 2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine?
2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine has a molecular weight of 626.30 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine is sourced from PubChem (CID 164996210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).