3-fluoro-1,6-dimethyl-2H-pyridine

C7H10FN — CID 145003766

IUPAC3-fluoro-1,6-dimethyl-2H-pyridine
SMILESCC1=CC=C(F)CN1C
InChIInChI=1S/C7H10FN/c1-6-3-4-7(8)5-9(6)2/h3-4H,5H2,1-2H3
InChIKeyCMTREEIIBMNJNW-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.69
Rot. Bonds

About 3-fluoro-1,6-dimethyl-2H-pyridine

3-fluoro-1,6-dimethyl-2H-pyridine (PubChem CID 145003766) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 3-fluoro-1,6-dimethyl-2H-pyridine.

Molecular Properties

Compound Name3-fluoro-1,6-dimethyl-2H-pyridine
PubChem CID145003766
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name3-fluoro-1,6-dimethyl-2H-pyridine
SMILESCC1=CC=C(F)CN1C
InChIInChI=1S/C7H10FN/c1-6-3-4-7(8)5-9(6)2/h3-4H,5H2,1-2H3
InChIKeyCMTREEIIBMNJNW-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,6-dimethyl-2H-pyridine?
The IUPAC name of 3-fluoro-1,6-dimethyl-2H-pyridine (CID 145003766) is 3-fluoro-1,6-dimethyl-2H-pyridine.
What is the SMILES notation for 3-fluoro-1,6-dimethyl-2H-pyridine?
The canonical SMILES for 3-fluoro-1,6-dimethyl-2H-pyridine is CC1=CC=C(F)CN1C.
What is the InChIKey of 3-fluoro-1,6-dimethyl-2H-pyridine?
The InChIKey is CMTREEIIBMNJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-6-3-4-7(8)5-9(6)2/h3-4H,5H2,1-2H3.
What are the key properties of 3-fluoro-1,6-dimethyl-2H-pyridine?
3-fluoro-1,6-dimethyl-2H-pyridine has a molecular weight of 127.16 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,6-dimethyl-2H-pyridine is sourced from PubChem (CID 145003766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).