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

C6H10FN — CID 126695013

IUPAC5-fluoro-2-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1CCC(F)=CN1
InChIInChI=1S/C6H10FN/c1-5-2-3-6(7)4-8-5/h4-5,8H,2-3H2,1H3
InChIKeyWXCPAWQYARTLIP-UHFFFAOYSA-N
MW115.15 g/mol
LogP1.57
Rot. Bonds

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

5-fluoro-2-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 126695013) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5-fluoro-2-methyl-1,2,3,4-tetrahydropyridine
PubChem CID126695013
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name5-fluoro-2-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1CCC(F)=CN1
InChIInChI=1S/C6H10FN/c1-5-2-3-6(7)4-8-5/h4-5,8H,2-3H2,1H3
InChIKeyWXCPAWQYARTLIP-UHFFFAOYSA-N
XLogP1.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethyltetrahydropyridine
CID 68154428
Tetrahydropicolin
CID 18920318
5-fluoro-N-methylhex-5-en-2-amine
CID 123972978
5-Chloro-3-fluoro-2-methyl-1,2,3,4-tetrahydropyridine
CID 126694507
4-fluoro-2-N-methylhex-1-ene-2,5-diamine
CID 139427003
4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole
CID 146392631
(2S)-5-fluoro-2-methyl-4-methylidene-2,3-dihydro-1H-pyridine
CID 164980369
5-Fluoro-4-methyl-1,2,3,4-tetrahydropyridine
CID 143242898
3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine
CID 161060732
2,4-dimethyl-2,3-dihydro-1H-pyrrole
CID 20227741
2-(Deuteriomethyl)-1,2,3,4-tetrahydropyridine
CID 141843689
(2R)-2-methyl-1,2,3,4-tetrahydropyridine
CID 149338159

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5-fluoro-2-methyl-1,2,3,4-tetrahydropyridine (CID 126695013) is 5-fluoro-2-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5-fluoro-2-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5-fluoro-2-methyl-1,2,3,4-tetrahydropyridine is CC1CCC(F)=CN1.
What is the InChIKey of 5-fluoro-2-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is WXCPAWQYARTLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-5-2-3-6(7)4-8-5/h4-5,8H,2-3H2,1H3.
What are the key properties of 5-fluoro-2-methyl-1,2,3,4-tetrahydropyridine?
5-fluoro-2-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 115.15 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 126695013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).