3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine

C12H20FN — CID 146538057

IUPAC3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine
SMILESCC(C)C1=CC=C(CCCF)CN1C
InChIInChI=1S/C12H20FN/c1-10(2)12-7-6-11(5-4-8-13)9-14(12)3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyZGEJOMGPVLPHJW-UHFFFAOYSA-N
MW197.30 g/mol
LogP3.15
Rot. Bonds4

About 3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine

3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine (PubChem CID 146538057) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine.

Molecular Properties

Compound Name3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine
PubChem CID146538057
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine
SMILESCC(C)C1=CC=C(CCCF)CN1C
InChIInChI=1S/C12H20FN/c1-10(2)12-7-6-11(5-4-8-13)9-14(12)3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyZGEJOMGPVLPHJW-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine?
The IUPAC name of 3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine (CID 146538057) is 3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine.
What is the SMILES notation for 3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine?
The canonical SMILES for 3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine is CC(C)C1=CC=C(CCCF)CN1C.
What is the InChIKey of 3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine?
The InChIKey is ZGEJOMGPVLPHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-10(2)12-7-6-11(5-4-8-13)9-14(12)3/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine?
3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine has a molecular weight of 197.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine is sourced from PubChem (CID 146538057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).