2,4-dichloro-5-fluoro-7-methoxyquinoline

C10H6Cl2FNO — CID 169256854

IUPAC2,4-dichloro-5-fluoro-7-methoxyquinoline
SMILESCOc1cc(F)c2c(Cl)cc(Cl)nc2c1
InChIInChI=1S/C10H6Cl2FNO/c1-15-5-2-7(13)10-6(11)4-9(12)14-8(10)3-5/h2-4H,1H3
InChIKeyCAYCUHQLAKNVEU-UHFFFAOYSA-N
MW246.07 g/mol
LogP3.69
Rot. Bonds1

About 2,4-dichloro-5-fluoro-7-methoxyquinoline

2,4-dichloro-5-fluoro-7-methoxyquinoline (PubChem CID 169256854) has the molecular formula C10H6Cl2FNO and a molecular weight of 246.07 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-7-methoxyquinoline.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-7-methoxyquinoline
PubChem CID169256854
Molecular FormulaC10H6Cl2FNO
Molecular Weight246.07 g/mol
Exact Mass244.98
IUPAC Name2,4-dichloro-5-fluoro-7-methoxyquinoline
SMILESCOc1cc(F)c2c(Cl)cc(Cl)nc2c1
InChIInChI=1S/C10H6Cl2FNO/c1-15-5-2-7(13)10-6(11)4-9(12)14-8(10)3-5/h2-4H,1H3
InChIKeyCAYCUHQLAKNVEU-UHFFFAOYSA-N
XLogP3.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.07
LogP ≤ 53.69
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

4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline
CID 169256614
2,4-dichloro-7-fluoro-5-methylquinoline
CID 170368158
4-chloro-5,7-dimethoxy-2-methylquinoline
CID 43668663
4-chloro-5,7-dimethoxy-2-phenylquinoline
CID 43668662
2-chloro-3-fluoro-7-methoxyquinoline
CID 22030591
5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline
CID 114693397
2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline
CID 139231038
2,4-dichloro-8-fluoro-5-methylquinoline
CID 121399116
1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene
CID 177181155
4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline
CID 62892117
2-(4-chloroimidazol-1-yl)-3-fluoro-5-methoxyaniline
CID 174637804
2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene
CID 91071120

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-7-methoxyquinoline?
The IUPAC name of 2,4-dichloro-5-fluoro-7-methoxyquinoline (CID 169256854) is 2,4-dichloro-5-fluoro-7-methoxyquinoline.
What is the SMILES notation for 2,4-dichloro-5-fluoro-7-methoxyquinoline?
The canonical SMILES for 2,4-dichloro-5-fluoro-7-methoxyquinoline is COc1cc(F)c2c(Cl)cc(Cl)nc2c1.
What is the InChIKey of 2,4-dichloro-5-fluoro-7-methoxyquinoline?
The InChIKey is CAYCUHQLAKNVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FNO/c1-15-5-2-7(13)10-6(11)4-9(12)14-8(10)3-5/h2-4H,1H3.
What are the key properties of 2,4-dichloro-5-fluoro-7-methoxyquinoline?
2,4-dichloro-5-fluoro-7-methoxyquinoline has a molecular weight of 246.07 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-7-methoxyquinoline is sourced from PubChem (CID 169256854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).