2-chloro-5-[dideuterio(methoxy)methyl]quinoline

C11H10ClNO — CID 118689159

IUPAC2-chloro-5-[dideuterio(methoxy)methyl]quinoline
SMILES[2H]C([2H])(OC)c1cccc2nc(Cl)ccc12
InChIInChI=1S/C11H10ClNO/c1-14-7-8-3-2-4-10-9(8)5-6-11(12)13-10/h2-6H,7H2,1H3/i7D2
InChIKeyIOEMFDQITWBUFL-RJSZUWSASA-N
MW209.67 g/mol
LogP3.03
Rot. Bonds2

About 2-chloro-5-[dideuterio(methoxy)methyl]quinoline

2-chloro-5-[dideuterio(methoxy)methyl]quinoline (PubChem CID 118689159) has the molecular formula C11H10ClNO and a molecular weight of 209.67 g/mol. Its IUPAC name is 2-chloro-5-[dideuterio(methoxy)methyl]quinoline.

Molecular Properties

Compound Name2-chloro-5-[dideuterio(methoxy)methyl]quinoline
PubChem CID118689159
Molecular FormulaC11H10ClNO
Molecular Weight209.67 g/mol
Exact Mass209.06
IUPAC Name2-chloro-5-[dideuterio(methoxy)methyl]quinoline
SMILES[2H]C([2H])(OC)c1cccc2nc(Cl)ccc12
InChIInChI=1S/C11H10ClNO/c1-14-7-8-3-2-4-10-9(8)5-6-11(12)13-10/h2-6H,7H2,1H3/i7D2
InChIKeyIOEMFDQITWBUFL-RJSZUWSASA-N
XLogP3.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-ethylquinoline;ethane
CID 143687373
1-(2-chloroquinolin-5-yl)-N,N-dimethylmethanamine
CID 118658353
2,5-dichloroquinoline
CID 676552
(2-chloroquinolin-5-yl)-trimethylsilane
CID 119084079
2-chloro-5-prop-1-en-2-ylquinoline
CID 119084095
2-chloro-5,6-dimethoxyquinoline
CID 146155196
carbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium
CID 59551853
1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene
CID 176829062
(2-aminoquinolin-5-yl)-dideuteriomethanol
CID 118689161
(2-chloroquinolin-5-yl) 2,2-dimethylpropanoate
CID 142729394
5-bromo-2-chloro-6-methoxyquinoline
CID 22139688
2-chloroquinoline-5-sulfonamide
CID 154295379

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[dideuterio(methoxy)methyl]quinoline?
The IUPAC name of 2-chloro-5-[dideuterio(methoxy)methyl]quinoline (CID 118689159) is 2-chloro-5-[dideuterio(methoxy)methyl]quinoline.
What is the SMILES notation for 2-chloro-5-[dideuterio(methoxy)methyl]quinoline?
The canonical SMILES for 2-chloro-5-[dideuterio(methoxy)methyl]quinoline is [2H]C([2H])(OC)c1cccc2nc(Cl)ccc12.
What is the InChIKey of 2-chloro-5-[dideuterio(methoxy)methyl]quinoline?
The InChIKey is IOEMFDQITWBUFL-RJSZUWSASA-N. The full InChI is InChI=1S/C11H10ClNO/c1-14-7-8-3-2-4-10-9(8)5-6-11(12)13-10/h2-6H,7H2,1H3/i7D2.
What are the key properties of 2-chloro-5-[dideuterio(methoxy)methyl]quinoline?
2-chloro-5-[dideuterio(methoxy)methyl]quinoline has a molecular weight of 209.67 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[dideuterio(methoxy)methyl]quinoline is sourced from PubChem (CID 118689159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).