5-chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine

C6H9ClFN — CID 126694507

IUPAC5-chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1NC=C(Cl)CC1F
InChIInChI=1S/C6H9ClFN/c1-4-6(8)2-5(7)3-9-4/h3-4,6,9H,2H2,1H3
InChIKeyCUDPZNOKRVAVNO-UHFFFAOYSA-N
MW149.60 g/mol
LogP1.79
Rot. Bonds

About 5-chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine

5-chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 126694507) has the molecular formula C6H9ClFN and a molecular weight of 149.60 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine
PubChem CID126694507
Molecular FormulaC6H9ClFN
Molecular Weight149.60 g/mol
Exact Mass149.04
IUPAC Name5-chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1NC=C(Cl)CC1F
InChIInChI=1S/C6H9ClFN/c1-4-6(8)2-5(7)3-9-4/h3-4,6,9H,2H2,1H3
InChIKeyCUDPZNOKRVAVNO-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.60
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5-chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine (CID 126694507) is 5-chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine is CC1NC=C(Cl)CC1F.
What is the InChIKey of 5-chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is CUDPZNOKRVAVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClFN/c1-4-6(8)2-5(7)3-9-4/h3-4,6,9H,2H2,1H3.
What are the key properties of 5-chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine?
5-chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 149.60 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 126694507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).