2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile

C11H11F2N3 — CID 171994335

IUPAC2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CC(C(F)F)C2)n1
InChIInChI=1S/C11H11F2N3/c1-7-2-3-8(4-14)11(15-7)16-5-9(6-16)10(12)13/h2-3,9-10H,5-6H2,1H3
InChIKeyXIHWQAWMMXYTMJ-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.96
Rot. Bonds2

About 2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile

2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 171994335) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile
PubChem CID171994335
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CC(C(F)F)C2)n1
InChIInChI=1S/C11H11F2N3/c1-7-2-3-8(4-14)11(15-7)16-5-9(6-16)10(12)13/h2-3,9-10H,5-6H2,1H3
InChIKeyXIHWQAWMMXYTMJ-UHFFFAOYSA-N
XLogP1.96
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681931
6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile
CID 57401602
6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 115300809
[1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane
CID 144625430
2-[(3S)-4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-6-methylpyridine-3-carbonitrile
CID 124596688
2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile
CID 62232169
6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile
CID 115871169
1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide
CID 171327976
N-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide
CID 171323471
2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 172899335
2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 113343675
2-(8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carbonitrile
CID 55159875

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile (CID 171994335) is 2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CC(C(F)F)C2)n1.
What is the InChIKey of 2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is XIHWQAWMMXYTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-7-2-3-8(4-14)11(15-7)16-5-9(6-16)10(12)13/h2-3,9-10H,5-6H2,1H3.
What are the key properties of 2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile?
2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 223.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 171994335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).