2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine

C10H13F2N — CID 170194877

IUPAC2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine
SMILESCc1c(C(C)C)ccnc1C(F)F
InChIInChI=1S/C10H13F2N/c1-6(2)8-4-5-13-9(7(8)3)10(11)12/h4-6,10H,1-3H3
InChIKeyOPRBEBHUANZSBW-UHFFFAOYSA-N
MW185.22 g/mol
LogP3.45
Rot. Bonds2

About 2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine

2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine (PubChem CID 170194877) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine
PubChem CID170194877
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine
SMILESCc1c(C(C)C)ccnc1C(F)F
InChIInChI=1S/C10H13F2N/c1-6(2)8-4-5-13-9(7(8)3)10(11)12/h4-6,10H,1-3H3
InChIKeyOPRBEBHUANZSBW-UHFFFAOYSA-N
XLogP3.45
TPSA12.89 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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine?
The IUPAC name of 2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine (CID 170194877) is 2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine.
What is the SMILES notation for 2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine?
The canonical SMILES for 2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine is Cc1c(C(C)C)ccnc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine?
The InChIKey is OPRBEBHUANZSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-6(2)8-4-5-13-9(7(8)3)10(11)12/h4-6,10H,1-3H3.
What are the key properties of 2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine?
2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine has a molecular weight of 185.22 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine is sourced from PubChem (CID 170194877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).