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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine
CID 118476293
2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine
CID 135127173
5-(1,1-Difluoroethyl)-2-propyl-2,3-dihydropyridine
CID 135197188
3-Cyclopropyl-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine
CID 141778769
2-Propan-2-yl-5-(trifluoromethyl)-2,3-dihydropyridine
CID 162556316
5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine
CID 163645000
4-Methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 172628097
5-Ethyl-2-heptan-4-yl-2,3-dihydropyridine
CID 90902116
5-Cyclopropyl-2-propyl-2,3-dihydropyridine
CID 123324115
2-Cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine
CID 166735850

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).