4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine

C12H16F2N2 — CID 163675751

IUPAC4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine
SMILESCc1cc(F)cc(N2CC[C@@H](F)[C@@H](C)C2)n1
InChIInChI=1S/C12H16F2N2/c1-8-7-16(4-3-11(8)14)12-6-10(13)5-9(2)15-12/h5-6,8,11H,3-4,7H2,1-2H3/t8-,11+/m0/s1
InChIKeyJGNYOWVJOBMNJM-GZMMTYOYSA-N
MW226.27 g/mol
LogP2.71
Rot. Bonds1

About 4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine

4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine (PubChem CID 163675751) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine.

Molecular Properties

Compound Name4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine
PubChem CID163675751
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine
SMILESCc1cc(F)cc(N2CC[C@@H](F)[C@@H](C)C2)n1
InChIInChI=1S/C12H16F2N2/c1-8-7-16(4-3-11(8)14)12-6-10(13)5-9(2)15-12/h5-6,8,11H,3-4,7H2,1-2H3/t8-,11+/m0/s1
InChIKeyJGNYOWVJOBMNJM-GZMMTYOYSA-N
XLogP2.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68804646
2-methyl-6-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 114765932
2-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 114271864
3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-6-methylpyridazine
CID 67965093
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 104969574
3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine
CID 162588651
3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine
CID 139405267
1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 136533447
2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine
CID 154661534
4-[3-(bromomethyl)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 80679967
4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112909491
4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80834015

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine?
The IUPAC name of 4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine (CID 163675751) is 4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine.
What is the SMILES notation for 4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine?
The canonical SMILES for 4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine is Cc1cc(F)cc(N2CC[C@@H](F)[C@@H](C)C2)n1.
What is the InChIKey of 4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine?
The InChIKey is JGNYOWVJOBMNJM-GZMMTYOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-8-7-16(4-3-11(8)14)12-6-10(13)5-9(2)15-12/h5-6,8,11H,3-4,7H2,1-2H3/t8-,11+/m0/s1.
What are the key properties of 4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine?
4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine has a molecular weight of 226.27 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine is sourced from PubChem (CID 163675751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).