6-chloro-5-fluoro-3-methyl-1,2-dihydropyridine

C6H7ClFN — CID 163850809

IUPAC6-chloro-5-fluoro-3-methyl-1,2-dihydropyridine
SMILESCC1=CC(F)=C(Cl)NC1
InChIInChI=1S/C6H7ClFN/c1-4-2-5(8)6(7)9-3-4/h2,9H,3H2,1H3
InChIKeyOUEIKHODMUFMEH-UHFFFAOYSA-N
MW147.58 g/mol
LogP1.91
Rot. Bonds

About 6-chloro-5-fluoro-3-methyl-1,2-dihydropyridine

6-chloro-5-fluoro-3-methyl-1,2-dihydropyridine (PubChem CID 163850809) has the molecular formula C6H7ClFN and a molecular weight of 147.58 g/mol. Its IUPAC name is 6-chloro-5-fluoro-3-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-chloro-5-fluoro-3-methyl-1,2-dihydropyridine
PubChem CID163850809
Molecular FormulaC6H7ClFN
Molecular Weight147.58 g/mol
Exact Mass147.03
IUPAC Name6-chloro-5-fluoro-3-methyl-1,2-dihydropyridine
SMILESCC1=CC(F)=C(Cl)NC1
InChIInChI=1S/C6H7ClFN/c1-4-2-5(8)6(7)9-3-4/h2,9H,3H2,1H3
InChIKeyOUEIKHODMUFMEH-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.58
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-3-(trifluoromethyl)-1,2-dihydropyridine
CID 18330364
5,6-Dichloro-3-(trifluoromethyl)-1,2-dihydropyridine
CID 19975252
6-Chloro-5-fluoro-1,2-dihydropyridine
CID 90332464
6-Fluoro-3-methyl-1,2-dihydropyridine
CID 144821213
5-Fluoro-3-methyl-1,2-dihydropyridine
CID 153655088
5-Chloro-3-(trifluoromethyl)-1,2-dihydropyridine
CID 173013159
6-Chloro-3-fluoro-1,2-dihydropyridine
CID 173050584
3-Chloro-5-fluoro-1,2-dihydropyridine
CID 173559436
5-Chloro-6-methyl-3-(trifluoromethyl)-1,2-dihydropyridine
CID 141805850
6-Chloro-3-methyl-1,2-dihydropyridine
CID 117838577
(2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine
CID 142510236

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-3-methyl-1,2-dihydropyridine?
The IUPAC name of 6-chloro-5-fluoro-3-methyl-1,2-dihydropyridine (CID 163850809) is 6-chloro-5-fluoro-3-methyl-1,2-dihydropyridine.
What is the SMILES notation for 6-chloro-5-fluoro-3-methyl-1,2-dihydropyridine?
The canonical SMILES for 6-chloro-5-fluoro-3-methyl-1,2-dihydropyridine is CC1=CC(F)=C(Cl)NC1.
What is the InChIKey of 6-chloro-5-fluoro-3-methyl-1,2-dihydropyridine?
The InChIKey is OUEIKHODMUFMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFN/c1-4-2-5(8)6(7)9-3-4/h2,9H,3H2,1H3.
What are the key properties of 6-chloro-5-fluoro-3-methyl-1,2-dihydropyridine?
6-chloro-5-fluoro-3-methyl-1,2-dihydropyridine has a molecular weight of 147.58 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-3-methyl-1,2-dihydropyridine is sourced from PubChem (CID 163850809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).