2-(difluoromethyl)-6-(3-methoxypropyl)pyridine

C10H13F2NO — CID 174797060

IUPAC2-(difluoromethyl)-6-(3-methoxypropyl)pyridine
SMILESCOCCCc1cccc(C(F)F)n1
InChIInChI=1S/C10H13F2NO/c1-14-7-3-5-8-4-2-6-9(13-8)10(11)12/h2,4,6,10H,3,5,7H2,1H3
InChIKeyKLRYRULPCIBPKC-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.60
Rot. Bonds5

About 2-(difluoromethyl)-6-(3-methoxypropyl)pyridine

2-(difluoromethyl)-6-(3-methoxypropyl)pyridine (PubChem CID 174797060) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-(3-methoxypropyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-6-(3-methoxypropyl)pyridine
PubChem CID174797060
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(difluoromethyl)-6-(3-methoxypropyl)pyridine
SMILESCOCCCc1cccc(C(F)F)n1
InChIInChI=1S/C10H13F2NO/c1-14-7-3-5-8-4-2-6-9(13-8)10(11)12/h2,4,6,10H,3,5,7H2,1H3
InChIKeyKLRYRULPCIBPKC-UHFFFAOYSA-N
XLogP2.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(difluoromethyl)-6-(3-methoxypropyl)pyridine 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

[6-(difluoromethyl)-2-pyridinyl]methanamine
CID 84650730
methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate
CID 134683087
2,6-bis(difluoromethyl)pyridine
CID 68586040
2-(difluoromethyl)-6-methylpyridine
CID 54772274
4-(difluoromethyl)-2-(2-methoxyethyl)pyrimidine
CID 123949167
1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 164977707
CID 88952549
CID 88952549
2-methyl-6-(3-propoxypropyl)pyridine
CID 23516888
2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine
CID 10501969
2-butan-2-yl-6-(difluoromethyl)pyridine
CID 167246251
2-(6-propan-2-yl-2-pyridinyl)ethanol
CID 67800992
2-(6-propan-2-yl-2-pyridinyl)ethanamine
CID 20823809

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-(3-methoxypropyl)pyridine?
The IUPAC name of 2-(difluoromethyl)-6-(3-methoxypropyl)pyridine (CID 174797060) is 2-(difluoromethyl)-6-(3-methoxypropyl)pyridine.
What is the SMILES notation for 2-(difluoromethyl)-6-(3-methoxypropyl)pyridine?
The canonical SMILES for 2-(difluoromethyl)-6-(3-methoxypropyl)pyridine is COCCCc1cccc(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-6-(3-methoxypropyl)pyridine?
The InChIKey is KLRYRULPCIBPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-14-7-3-5-8-4-2-6-9(13-8)10(11)12/h2,4,6,10H,3,5,7H2,1H3.
What are the key properties of 2-(difluoromethyl)-6-(3-methoxypropyl)pyridine?
2-(difluoromethyl)-6-(3-methoxypropyl)pyridine has a molecular weight of 201.22 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-(3-methoxypropyl)pyridine is sourced from PubChem (CID 174797060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).