2-fluoro-4,4-dimethyl-3H-pyridine

C7H10FN — CID 175454714

IUPAC2-fluoro-4,4-dimethyl-3H-pyridine
SMILESCC1(C)C=CN=C(F)C1
InChIInChI=1S/C7H10FN/c1-7(2)3-4-9-6(8)5-7/h3-4H,5H2,1-2H3
InChIKeyDIJLCMSYLNBDAC-UHFFFAOYSA-N
MW127.16 g/mol
LogP2.30
Rot. Bonds

About 2-fluoro-4,4-dimethyl-3H-pyridine

2-fluoro-4,4-dimethyl-3H-pyridine (PubChem CID 175454714) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 2-fluoro-4,4-dimethyl-3H-pyridine.

Molecular Properties

Compound Name2-fluoro-4,4-dimethyl-3H-pyridine
PubChem CID175454714
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name2-fluoro-4,4-dimethyl-3H-pyridine
SMILESCC1(C)C=CN=C(F)C1
InChIInChI=1S/C7H10FN/c1-7(2)3-4-9-6(8)5-7/h3-4H,5H2,1-2H3
InChIKeyDIJLCMSYLNBDAC-UHFFFAOYSA-N
XLogP2.30
TPSA12.36 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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,4-dimethyl-3H-pyridine?
The IUPAC name of 2-fluoro-4,4-dimethyl-3H-pyridine (CID 175454714) is 2-fluoro-4,4-dimethyl-3H-pyridine.
What is the SMILES notation for 2-fluoro-4,4-dimethyl-3H-pyridine?
The canonical SMILES for 2-fluoro-4,4-dimethyl-3H-pyridine is CC1(C)C=CN=C(F)C1.
What is the InChIKey of 2-fluoro-4,4-dimethyl-3H-pyridine?
The InChIKey is DIJLCMSYLNBDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-7(2)3-4-9-6(8)5-7/h3-4H,5H2,1-2H3.
What are the key properties of 2-fluoro-4,4-dimethyl-3H-pyridine?
2-fluoro-4,4-dimethyl-3H-pyridine has a molecular weight of 127.16 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,4-dimethyl-3H-pyridine is sourced from PubChem (CID 175454714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).