2-[cyclopropyl(difluoro)methyl]-5-methyl-2,3-dihydropyridine

C10H13F2N — CID 162560059

IUPAC2-[cyclopropyl(difluoro)methyl]-5-methyl-2,3-dihydropyridine
SMILESCC1=CCC(C(F)(F)C2CC2)N=C1
InChIInChI=1S/C10H13F2N/c1-7-2-5-9(13-6-7)10(11,12)8-3-4-8/h2,6,8-9H,3-5H2,1H3
InChIKeyKCFPIMWVZSRSKP-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.82
Rot. Bonds2

About 2-[cyclopropyl(difluoro)methyl]-5-methyl-2,3-dihydropyridine

2-[cyclopropyl(difluoro)methyl]-5-methyl-2,3-dihydropyridine (PubChem CID 162560059) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[cyclopropyl(difluoro)methyl]-5-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-[cyclopropyl(difluoro)methyl]-5-methyl-2,3-dihydropyridine
PubChem CID162560059
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name2-[cyclopropyl(difluoro)methyl]-5-methyl-2,3-dihydropyridine
SMILESCC1=CCC(C(F)(F)C2CC2)N=C1
InChIInChI=1S/C10H13F2N/c1-7-2-5-9(13-6-7)10(11,12)8-3-4-8/h2,6,8-9H,3-5H2,1H3
InChIKeyKCFPIMWVZSRSKP-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 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 ≤ 52.82
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]-5-methyl-2,3-dihydropyridine?
The IUPAC name of 2-[cyclopropyl(difluoro)methyl]-5-methyl-2,3-dihydropyridine (CID 162560059) is 2-[cyclopropyl(difluoro)methyl]-5-methyl-2,3-dihydropyridine.
What is the SMILES notation for 2-[cyclopropyl(difluoro)methyl]-5-methyl-2,3-dihydropyridine?
The canonical SMILES for 2-[cyclopropyl(difluoro)methyl]-5-methyl-2,3-dihydropyridine is CC1=CCC(C(F)(F)C2CC2)N=C1.
What is the InChIKey of 2-[cyclopropyl(difluoro)methyl]-5-methyl-2,3-dihydropyridine?
The InChIKey is KCFPIMWVZSRSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-7-2-5-9(13-6-7)10(11,12)8-3-4-8/h2,6,8-9H,3-5H2,1H3.
What are the key properties of 2-[cyclopropyl(difluoro)methyl]-5-methyl-2,3-dihydropyridine?
2-[cyclopropyl(difluoro)methyl]-5-methyl-2,3-dihydropyridine has a molecular weight of 185.22 g/mol, XLogP of 2.82, 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]-5-methyl-2,3-dihydropyridine is sourced from PubChem (CID 162560059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).