2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine

C15H16F2N2 — CID 163423475

IUPAC2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine
SMILESCCCC(C)c1ccnc(-c2ccc(F)nc2F)c1
InChIInChI=1S/C15H16F2N2/c1-3-4-10(2)11-7-8-18-13(9-11)12-5-6-14(16)19-15(12)17/h5-10H,3-4H2,1-2H3
InChIKeyAKMNZFUHZJVKEV-UHFFFAOYSA-N
MW262.30 g/mol
LogP4.33
Rot. Bonds4

About 2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine

2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine (PubChem CID 163423475) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine
PubChem CID163423475
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine
SMILESCCCC(C)c1ccnc(-c2ccc(F)nc2F)c1
InChIInChI=1S/C15H16F2N2/c1-3-4-10(2)11-7-8-18-13(9-11)12-5-6-14(16)19-15(12)17/h5-10H,3-4H2,1-2H3
InChIKeyAKMNZFUHZJVKEV-UHFFFAOYSA-N
XLogP4.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 54.33
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

3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine
CID 58162175
2-methoxy-4-pentan-2-ylpyridine
CID 155069578
4-butan-2-yl-2-naphthalen-1-ylpyridine
CID 91469714
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
4-fluoro-2-pentan-2-ylpyridine
CID 134243640
3-(5-bromo-2-pyridinyl)-2,6-difluoropyridine
CID 139429765
2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole
CID 126581774
2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine
CID 135215939
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine
CID 140602566
2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine
CID 162398238
pentan-2-ylbenzene
CID 17627

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine?
The IUPAC name of 2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine (CID 163423475) is 2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine.
What is the SMILES notation for 2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine?
The canonical SMILES for 2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine is CCCC(C)c1ccnc(-c2ccc(F)nc2F)c1.
What is the InChIKey of 2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine?
The InChIKey is AKMNZFUHZJVKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-3-4-10(2)11-7-8-18-13(9-11)12-5-6-14(16)19-15(12)17/h5-10H,3-4H2,1-2H3.
What are the key properties of 2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine?
2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine has a molecular weight of 262.30 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine is sourced from PubChem (CID 163423475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).