bis(carbon dioxide);2-chloro-5-fluoro-6-methoxy-3-methylpyridine;2,6-dichloro-3-fluoro-5-methylpyridine

C15H11Cl3F2N2O5 — CID 162013936

IUPACbis(carbon dioxide);2-chloro-5-fluoro-6-methoxy-3-methylpyridine;2,6-dichloro-3-fluoro-5-methylpyridine
SMILESCOc1nc(Cl)c(C)cc1F.Cc1cc(F)c(Cl)nc1Cl.O=C=O.O=C=O
InChIInChI=1S/C7H7ClFNO.C6H4Cl2FN.2CO2/c1-4-3-5(9)7(11-2)10-6(4)8;1-3-2-4(9)6(8)10-5(3)7;2*2-1-3/h3H,1-2H3;2H,1H3;;
InChIKeyYTVSMXYGTWRIIE-UHFFFAOYSA-N
MW443.62 g/mol
LogP3.86
Rot. Bonds1

About bis(carbon dioxide);2-chloro-5-fluoro-6-methoxy-3-methylpyridine;2,6-dichloro-3-fluoro-5-methylpyridine

bis(carbon dioxide);2-chloro-5-fluoro-6-methoxy-3-methylpyridine;2,6-dichloro-3-fluoro-5-methylpyridine (PubChem CID 162013936) has the molecular formula C15H11Cl3F2N2O5 and a molecular weight of 443.62 g/mol. Its IUPAC name is bis(carbon dioxide);2-chloro-5-fluoro-6-methoxy-3-methylpyridine;2,6-dichloro-3-fluoro-5-methylpyridine.

Molecular Properties

Compound Namebis(carbon dioxide);2-chloro-5-fluoro-6-methoxy-3-methylpyridine;2,6-dichloro-3-fluoro-5-methylpyridine
PubChem CID162013936
Molecular FormulaC15H11Cl3F2N2O5
Molecular Weight443.62 g/mol
Exact Mass441.97
IUPAC Namebis(carbon dioxide);2-chloro-5-fluoro-6-methoxy-3-methylpyridine;2,6-dichloro-3-fluoro-5-methylpyridine
SMILESCOc1nc(Cl)c(C)cc1F.Cc1cc(F)c(Cl)nc1Cl.O=C=O.O=C=O
InChIInChI=1S/C7H7ClFNO.C6H4Cl2FN.2CO2/c1-4-3-5(9)7(11-2)10-6(4)8;1-3-2-4(9)6(8)10-5(3)7;2*2-1-3/h3H,1-2H3;2H,1H3;;
InChIKeyYTVSMXYGTWRIIE-UHFFFAOYSA-N
XLogP3.86
TPSA103.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.62
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid
CID 126721663
1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 126721634
2-bromo-6-chloro-3-fluoro-5-methylpyridine
CID 130114370
6-chloro-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 155970404
2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine
CID 130984923
(6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol
CID 163303923
5-fluoro-2,6-dimethoxypyridin-3-amine
CID 150134011
5-bromo-3-fluoro-2-methoxy-6-methylpyridine
CID 52982885
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
2,7-dichloro-6-methoxy-3-methylquinoline
CID 28809488
2-chloro-3-fluoro-7-methoxyquinoline
CID 22030591
2-chloro-6,7-dimethoxy-3-methylquinoline
CID 18524412

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);2-chloro-5-fluoro-6-methoxy-3-methylpyridine;2,6-dichloro-3-fluoro-5-methylpyridine?
The IUPAC name of bis(carbon dioxide);2-chloro-5-fluoro-6-methoxy-3-methylpyridine;2,6-dichloro-3-fluoro-5-methylpyridine (CID 162013936) is bis(carbon dioxide);2-chloro-5-fluoro-6-methoxy-3-methylpyridine;2,6-dichloro-3-fluoro-5-methylpyridine.
What is the SMILES notation for bis(carbon dioxide);2-chloro-5-fluoro-6-methoxy-3-methylpyridine;2,6-dichloro-3-fluoro-5-methylpyridine?
The canonical SMILES for bis(carbon dioxide);2-chloro-5-fluoro-6-methoxy-3-methylpyridine;2,6-dichloro-3-fluoro-5-methylpyridine is COc1nc(Cl)c(C)cc1F.Cc1cc(F)c(Cl)nc1Cl.O=C=O.O=C=O.
What is the InChIKey of bis(carbon dioxide);2-chloro-5-fluoro-6-methoxy-3-methylpyridine;2,6-dichloro-3-fluoro-5-methylpyridine?
The InChIKey is YTVSMXYGTWRIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO.C6H4Cl2FN.2CO2/c1-4-3-5(9)7(11-2)10-6(4)8;1-3-2-4(9)6(8)10-5(3)7;2*2-1-3/h3H,1-2H3;2H,1H3;;.
What are the key properties of bis(carbon dioxide);2-chloro-5-fluoro-6-methoxy-3-methylpyridine;2,6-dichloro-3-fluoro-5-methylpyridine?
bis(carbon dioxide);2-chloro-5-fluoro-6-methoxy-3-methylpyridine;2,6-dichloro-3-fluoro-5-methylpyridine has a molecular weight of 443.62 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);2-chloro-5-fluoro-6-methoxy-3-methylpyridine;2,6-dichloro-3-fluoro-5-methylpyridine is sourced from PubChem (CID 162013936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).