5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile

C14H17ClN2O — CID 23938150

IUPAC5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile
SMILESCC(C)c1nc(C#N)c2c(c1Cl)CC(C)(C)OC2
InChIInChI=1S/C14H17ClN2O/c1-8(2)13-12(15)9-5-14(3,4)18-7-10(9)11(6-16)17-13/h8H,5,7H2,1-4H3
InChIKeyUENRVLFJRHVMSG-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.58
Rot. Bonds1

About 5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile

5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile (PubChem CID 23938150) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile.

Molecular Properties

Compound Name5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile
PubChem CID23938150
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile
SMILESCC(C)c1nc(C#N)c2c(c1Cl)CC(C)(C)OC2
InChIInChI=1S/C14H17ClN2O/c1-8(2)13-12(15)9-5-14(3,4)18-7-10(9)11(6-16)17-13/h8H,5,7H2,1-4H3
InChIKeyUENRVLFJRHVMSG-UHFFFAOYSA-N
XLogP3.58
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile?
The IUPAC name of 5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile (CID 23938150) is 5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile.
What is the SMILES notation for 5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile?
The canonical SMILES for 5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile is CC(C)c1nc(C#N)c2c(c1Cl)CC(C)(C)OC2.
What is the InChIKey of 5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile?
The InChIKey is UENRVLFJRHVMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-8(2)13-12(15)9-5-14(3,4)18-7-10(9)11(6-16)17-13/h8H,5,7H2,1-4H3.
What are the key properties of 5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile?
5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile has a molecular weight of 264.76 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile is sourced from PubChem (CID 23938150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).