2-[cyclopropyl(difluoro)methyl]pyridine

C9H9F2N — CID 116841751

IUPAC2-[cyclopropyl(difluoro)methyl]pyridine
SMILESFC(F)(c1ccccn1)C1CC1
InChIInChI=1S/C9H9F2N/c10-9(11,7-4-5-7)8-3-1-2-6-12-8/h1-3,6-7H,4-5H2
InChIKeyBTWVHLGRYOUNAH-UHFFFAOYSA-N
MW169.17 g/mol
LogP2.58
Rot. Bonds2

About 2-[cyclopropyl(difluoro)methyl]pyridine

2-[cyclopropyl(difluoro)methyl]pyridine (PubChem CID 116841751) has the molecular formula C9H9F2N and a molecular weight of 169.17 g/mol. Its IUPAC name is 2-[cyclopropyl(difluoro)methyl]pyridine.

Molecular Properties

Compound Name2-[cyclopropyl(difluoro)methyl]pyridine
PubChem CID116841751
Molecular FormulaC9H9F2N
Molecular Weight169.17 g/mol
Exact Mass169.07
IUPAC Name2-[cyclopropyl(difluoro)methyl]pyridine
SMILESFC(F)(c1ccccn1)C1CC1
InChIInChI=1S/C9H9F2N/c10-9(11,7-4-5-7)8-3-1-2-6-12-8/h1-3,6-7H,4-5H2
InChIKeyBTWVHLGRYOUNAH-UHFFFAOYSA-N
XLogP2.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.17
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(difluoro)methyl]pyridine?
The IUPAC name of 2-[cyclopropyl(difluoro)methyl]pyridine (CID 116841751) is 2-[cyclopropyl(difluoro)methyl]pyridine.
What is the SMILES notation for 2-[cyclopropyl(difluoro)methyl]pyridine?
The canonical SMILES for 2-[cyclopropyl(difluoro)methyl]pyridine is FC(F)(c1ccccn1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(difluoro)methyl]pyridine?
The InChIKey is BTWVHLGRYOUNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N/c10-9(11,7-4-5-7)8-3-1-2-6-12-8/h1-3,6-7H,4-5H2.
What are the key properties of 2-[cyclopropyl(difluoro)methyl]pyridine?
2-[cyclopropyl(difluoro)methyl]pyridine has a molecular weight of 169.17 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(difluoro)methyl]pyridine is sourced from PubChem (CID 116841751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).