2-(6-chlorofuro[3,2-b]pyridin-3-yl)benzonitrile

C14H7ClN2O — CID 171512486

IUPAC2-(6-chlorofuro[3,2-b]pyridin-3-yl)benzonitrile
SMILESN#Cc1ccccc1-c1coc2cc(Cl)cnc12
InChIInChI=1S/C14H7ClN2O/c15-10-5-13-14(17-7-10)12(8-18-13)11-4-2-1-3-9(11)6-16/h1-5,7-8H
InChIKeyZJSBJXFKYKKGTH-UHFFFAOYSA-N
MW254.68 g/mol
LogP4.02
Rot. Bonds1

About 2-(6-chlorofuro[3,2-b]pyridin-3-yl)benzonitrile

2-(6-chlorofuro[3,2-b]pyridin-3-yl)benzonitrile (PubChem CID 171512486) has the molecular formula C14H7ClN2O and a molecular weight of 254.68 g/mol. Its IUPAC name is 2-(6-chlorofuro[3,2-b]pyridin-3-yl)benzonitrile.

Molecular Properties

Compound Name2-(6-chlorofuro[3,2-b]pyridin-3-yl)benzonitrile
PubChem CID171512486
Molecular FormulaC14H7ClN2O
Molecular Weight254.68 g/mol
Exact Mass254.02
IUPAC Name2-(6-chlorofuro[3,2-b]pyridin-3-yl)benzonitrile
SMILESN#Cc1ccccc1-c1coc2cc(Cl)cnc12
InChIInChI=1S/C14H7ClN2O/c15-10-5-13-14(17-7-10)12(8-18-13)11-4-2-1-3-9(11)6-16/h1-5,7-8H
InChIKeyZJSBJXFKYKKGTH-UHFFFAOYSA-N
XLogP4.02
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-(2-methoxyphenyl)furo[3,2-b]pyridine
CID 171471439
6-chloro-3-(furan-3-yl)furo[3,2-b]pyridine
CID 171471491
3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide
CID 171471467
[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid
CID 174224767
2-(4-chlorophenyl)benzonitrile;hydrochloride
CID 175053913
2-(2,5-dichlorothiophen-3-yl)benzonitrile
CID 125483376
2-pyrido[2,3-b]pyrazin-8-ylbenzonitrile
CID 142880710
2-[5-[5-chloro-2-(difluoromethoxy)-3-pyridinyl]-4-methyl-1,2,4-triazol-3-yl]benzonitrile
CID 171547910
2-(5-methyl-1,3-oxazol-2-yl)benzonitrile
CID 84659525
6-benzyl-3-phenylfuro[3,2-b]pyridine
CID 171471568
5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile
CID 116879947
2-(5-ethylpyrimidin-2-yl)benzonitrile
CID 141346373

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorofuro[3,2-b]pyridin-3-yl)benzonitrile?
The IUPAC name of 2-(6-chlorofuro[3,2-b]pyridin-3-yl)benzonitrile (CID 171512486) is 2-(6-chlorofuro[3,2-b]pyridin-3-yl)benzonitrile.
What is the SMILES notation for 2-(6-chlorofuro[3,2-b]pyridin-3-yl)benzonitrile?
The canonical SMILES for 2-(6-chlorofuro[3,2-b]pyridin-3-yl)benzonitrile is N#Cc1ccccc1-c1coc2cc(Cl)cnc12.
What is the InChIKey of 2-(6-chlorofuro[3,2-b]pyridin-3-yl)benzonitrile?
The InChIKey is ZJSBJXFKYKKGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN2O/c15-10-5-13-14(17-7-10)12(8-18-13)11-4-2-1-3-9(11)6-16/h1-5,7-8H.
What are the key properties of 2-(6-chlorofuro[3,2-b]pyridin-3-yl)benzonitrile?
2-(6-chlorofuro[3,2-b]pyridin-3-yl)benzonitrile has a molecular weight of 254.68 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorofuro[3,2-b]pyridin-3-yl)benzonitrile is sourced from PubChem (CID 171512486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).