3-fluoro-2-[2-(2-fluoro-5-methyl-3-pyridinyl)propan-2-yl]-6-methyl-5-propan-2-ylpyridine

C18H22F2N2 — CID 166880338

IUPAC3-fluoro-2-[2-(2-fluoro-5-methyl-3-pyridinyl)propan-2-yl]-6-methyl-5-propan-2-ylpyridine
SMILESCc1cnc(F)c(C(C)(C)c2nc(C)c(C(C)C)cc2F)c1
InChIInChI=1S/C18H22F2N2/c1-10(2)13-8-15(19)16(22-12(13)4)18(5,6)14-7-11(3)9-21-17(14)20/h7-10H,1-6H3
InChIKeyCHNIJJNYERNIKQ-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.82
Rot. Bonds3

About 3-fluoro-2-[2-(2-fluoro-5-methyl-3-pyridinyl)propan-2-yl]-6-methyl-5-propan-2-ylpyridine

3-fluoro-2-[2-(2-fluoro-5-methyl-3-pyridinyl)propan-2-yl]-6-methyl-5-propan-2-ylpyridine (PubChem CID 166880338) has the molecular formula C18H22F2N2 and a molecular weight of 304.38 g/mol. Its IUPAC name is 3-fluoro-2-[2-(2-fluoro-5-methyl-3-pyridinyl)propan-2-yl]-6-methyl-5-propan-2-ylpyridine.

Molecular Properties

Compound Name3-fluoro-2-[2-(2-fluoro-5-methyl-3-pyridinyl)propan-2-yl]-6-methyl-5-propan-2-ylpyridine
PubChem CID166880338
Molecular FormulaC18H22F2N2
Molecular Weight304.38 g/mol
Exact Mass304.18
IUPAC Name3-fluoro-2-[2-(2-fluoro-5-methyl-3-pyridinyl)propan-2-yl]-6-methyl-5-propan-2-ylpyridine
SMILESCc1cnc(F)c(C(C)(C)c2nc(C)c(C(C)C)cc2F)c1
InChIInChI=1S/C18H22F2N2/c1-10(2)13-8-15(19)16(22-12(13)4)18(5,6)14-7-11(3)9-21-17(14)20/h7-10H,1-6H3
InChIKeyCHNIJJNYERNIKQ-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-3-propan-2-ylpyridine;ethane
CID 158491819
3-fluoro-5-methyl-2-(trifluoromethyl)pyridine
CID 23568437
2-fluoro-5-methyl-3-methylsulfanylpyridine
CID 164895334
5-tert-butyl-2-methyl-3-propan-2-ylpyridine
CID 58861335
(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)-2-methylpropan-1-amine
CID 55276202
4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine
CID 146618056
CID 144982231
CID 144982231
2-fluoro-3-(2-fluorophenyl)-5-methylpyridine
CID 46312592
2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 20824284
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
CID 105367909
3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine
CID 64716420
2-ethyl-5-fluoro-4-propan-2-ylpyridine
CID 137409509

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[2-(2-fluoro-5-methyl-3-pyridinyl)propan-2-yl]-6-methyl-5-propan-2-ylpyridine?
The IUPAC name of 3-fluoro-2-[2-(2-fluoro-5-methyl-3-pyridinyl)propan-2-yl]-6-methyl-5-propan-2-ylpyridine (CID 166880338) is 3-fluoro-2-[2-(2-fluoro-5-methyl-3-pyridinyl)propan-2-yl]-6-methyl-5-propan-2-ylpyridine.
What is the SMILES notation for 3-fluoro-2-[2-(2-fluoro-5-methyl-3-pyridinyl)propan-2-yl]-6-methyl-5-propan-2-ylpyridine?
The canonical SMILES for 3-fluoro-2-[2-(2-fluoro-5-methyl-3-pyridinyl)propan-2-yl]-6-methyl-5-propan-2-ylpyridine is Cc1cnc(F)c(C(C)(C)c2nc(C)c(C(C)C)cc2F)c1.
What is the InChIKey of 3-fluoro-2-[2-(2-fluoro-5-methyl-3-pyridinyl)propan-2-yl]-6-methyl-5-propan-2-ylpyridine?
The InChIKey is CHNIJJNYERNIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2/c1-10(2)13-8-15(19)16(22-12(13)4)18(5,6)14-7-11(3)9-21-17(14)20/h7-10H,1-6H3.
What are the key properties of 3-fluoro-2-[2-(2-fluoro-5-methyl-3-pyridinyl)propan-2-yl]-6-methyl-5-propan-2-ylpyridine?
3-fluoro-2-[2-(2-fluoro-5-methyl-3-pyridinyl)propan-2-yl]-6-methyl-5-propan-2-ylpyridine has a molecular weight of 304.38 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[2-(2-fluoro-5-methyl-3-pyridinyl)propan-2-yl]-6-methyl-5-propan-2-ylpyridine is sourced from PubChem (CID 166880338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).