5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile

C11H9ClF2N2O — CID 126954354

IUPAC5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile
SMILESN#Cc1cnc(OCC2CC(F)(F)C2)c(Cl)c1
InChIInChI=1S/C11H9ClF2N2O/c12-9-1-7(4-15)5-16-10(9)17-6-8-2-11(13,14)3-8/h1,5,8H,2-3,6H2
InChIKeyWBSDIJYISXAAGP-UHFFFAOYSA-N
MW258.65 g/mol
LogP3.03
Rot. Bonds3

About 5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile

5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile (PubChem CID 126954354) has the molecular formula C11H9ClF2N2O and a molecular weight of 258.65 g/mol. Its IUPAC name is 5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile
PubChem CID126954354
Molecular FormulaC11H9ClF2N2O
Molecular Weight258.65 g/mol
Exact Mass258.04
IUPAC Name5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile
SMILESN#Cc1cnc(OCC2CC(F)(F)C2)c(Cl)c1
InChIInChI=1S/C11H9ClF2N2O/c12-9-1-7(4-15)5-16-10(9)17-6-8-2-11(13,14)3-8/h1,5,8H,2-3,6H2
InChIKeyWBSDIJYISXAAGP-UHFFFAOYSA-N
XLogP3.03
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.65
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene
CID 141432461
3-[4-[[5-chloro-4-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]cyclobutane-1-carbonitrile
CID 165385565
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 163353270
3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
CID 71643509
5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile
CID 166217651
2-methoxypyridine-3,5-dicarbonitrile
CID 84650868
5-chloro-6-ethynylpyridine-3-carbonitrile
CID 122241554
5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile
CID 103473285
5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 134160931
5-chloro-6-ethenylpyridine-3-carbonitrile
CID 119086945
6-[4-[[(1S,2S)-2-amino-5,5-difluorocyclohexyl]methoxy]phenyl]-5-fluoropyridine-3-carbonitrile
CID 70819105
6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile
CID 174274469

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile (CID 126954354) is 5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile is N#Cc1cnc(OCC2CC(F)(F)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile?
The InChIKey is WBSDIJYISXAAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2O/c12-9-1-7(4-15)5-16-10(9)17-6-8-2-11(13,14)3-8/h1,5,8H,2-3,6H2.
What are the key properties of 5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile?
5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile has a molecular weight of 258.65 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 126954354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).