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

C6H7ClFN — CID 126694527

IUPAC3-chloro-5-fluoro-6-methyl-1,2-dihydropyridine
SMILESCC1=C(F)C=C(Cl)CN1
InChIInChI=1S/C6H7ClFN/c1-4-6(8)2-5(7)3-9-4/h2,9H,3H2,1H3
InChIKeyJEGKYIZHUNIZPI-UHFFFAOYSA-N
MW147.58 g/mol
LogP1.91
Rot. Bonds

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

3-chloro-5-fluoro-6-methyl-1,2-dihydropyridine (PubChem CID 126694527) has the molecular formula C6H7ClFN and a molecular weight of 147.58 g/mol. Its IUPAC name is 3-chloro-5-fluoro-6-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-chloro-5-fluoro-6-methyl-1,2-dihydropyridine
PubChem CID126694527
Molecular FormulaC6H7ClFN
Molecular Weight147.58 g/mol
Exact Mass147.03
IUPAC Name3-chloro-5-fluoro-6-methyl-1,2-dihydropyridine
SMILESCC1=C(F)C=C(Cl)CN1
InChIInChI=1S/C6H7ClFN/c1-4-6(8)2-5(7)3-9-4/h2,9H,3H2,1H3
InChIKeyJEGKYIZHUNIZPI-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-6-methyl-1,2-dihydropyridine?
The IUPAC name of 3-chloro-5-fluoro-6-methyl-1,2-dihydropyridine (CID 126694527) is 3-chloro-5-fluoro-6-methyl-1,2-dihydropyridine.
What is the SMILES notation for 3-chloro-5-fluoro-6-methyl-1,2-dihydropyridine?
The canonical SMILES for 3-chloro-5-fluoro-6-methyl-1,2-dihydropyridine is CC1=C(F)C=C(Cl)CN1.
What is the InChIKey of 3-chloro-5-fluoro-6-methyl-1,2-dihydropyridine?
The InChIKey is JEGKYIZHUNIZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFN/c1-4-6(8)2-5(7)3-9-4/h2,9H,3H2,1H3.
What are the key properties of 3-chloro-5-fluoro-6-methyl-1,2-dihydropyridine?
3-chloro-5-fluoro-6-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 3-chloro-5-fluoro-6-methyl-1,2-dihydropyridine is sourced from PubChem (CID 126694527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).