2-(difluoromethyl)-6-methylidene-1-propan-2-ylpyridine

C10H13F2N — CID 171846002

IUPAC2-(difluoromethyl)-6-methylidene-1-propan-2-ylpyridine
SMILESC=C1C=CC=C(C(F)F)N1C(C)C
InChIInChI=1S/C10H13F2N/c1-7(2)13-8(3)5-4-6-9(13)10(11)12/h4-7,10H,3H2,1-2H3
InChIKeyULWMZZGUNWFTRU-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.93
Rot. Bonds2

About 2-(difluoromethyl)-6-methylidene-1-propan-2-ylpyridine

2-(difluoromethyl)-6-methylidene-1-propan-2-ylpyridine (PubChem CID 171846002) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-methylidene-1-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-6-methylidene-1-propan-2-ylpyridine
PubChem CID171846002
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name2-(difluoromethyl)-6-methylidene-1-propan-2-ylpyridine
SMILESC=C1C=CC=C(C(F)F)N1C(C)C
InChIInChI=1S/C10H13F2N/c1-7(2)13-8(3)5-4-6-9(13)10(11)12/h4-7,10H,3H2,1-2H3
InChIKeyULWMZZGUNWFTRU-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-methylidene-1-propan-2-ylpyridine?
The IUPAC name of 2-(difluoromethyl)-6-methylidene-1-propan-2-ylpyridine (CID 171846002) is 2-(difluoromethyl)-6-methylidene-1-propan-2-ylpyridine.
What is the SMILES notation for 2-(difluoromethyl)-6-methylidene-1-propan-2-ylpyridine?
The canonical SMILES for 2-(difluoromethyl)-6-methylidene-1-propan-2-ylpyridine is C=C1C=CC=C(C(F)F)N1C(C)C.
What is the InChIKey of 2-(difluoromethyl)-6-methylidene-1-propan-2-ylpyridine?
The InChIKey is ULWMZZGUNWFTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-7(2)13-8(3)5-4-6-9(13)10(11)12/h4-7,10H,3H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-6-methylidene-1-propan-2-ylpyridine?
2-(difluoromethyl)-6-methylidene-1-propan-2-ylpyridine has a molecular weight of 185.22 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-methylidene-1-propan-2-ylpyridine is sourced from PubChem (CID 171846002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).