6-[bis(2-methoxyethyl)amino]-5-chloropyridine-3-carbonitrile

C12H16ClN3O2 — CID 56785512

IUPAC6-[bis(2-methoxyethyl)amino]-5-chloropyridine-3-carbonitrile
SMILESCOCCN(CCOC)c1ncc(C#N)cc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-17-5-3-16(4-6-18-2)12-11(13)7-10(8-14)9-15-12/h7,9H,3-6H2,1-2H3
InChIKeyDJXLZHPAYFAQGJ-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.71
Rot. Bonds7

About 6-[bis(2-methoxyethyl)amino]-5-chloropyridine-3-carbonitrile

6-[bis(2-methoxyethyl)amino]-5-chloropyridine-3-carbonitrile (PubChem CID 56785512) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-[bis(2-methoxyethyl)amino]-5-chloropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[bis(2-methoxyethyl)amino]-5-chloropyridine-3-carbonitrile
PubChem CID56785512
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name6-[bis(2-methoxyethyl)amino]-5-chloropyridine-3-carbonitrile
SMILESCOCCN(CCOC)c1ncc(C#N)cc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-17-5-3-16(4-6-18-2)12-11(13)7-10(8-14)9-15-12/h7,9H,3-6H2,1-2H3
InChIKeyDJXLZHPAYFAQGJ-UHFFFAOYSA-N
XLogP1.71
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(2-methoxyethyl)amino]-5-chloropyridine-3-carbonitrile?
The IUPAC name of 6-[bis(2-methoxyethyl)amino]-5-chloropyridine-3-carbonitrile (CID 56785512) is 6-[bis(2-methoxyethyl)amino]-5-chloropyridine-3-carbonitrile.
What is the SMILES notation for 6-[bis(2-methoxyethyl)amino]-5-chloropyridine-3-carbonitrile?
The canonical SMILES for 6-[bis(2-methoxyethyl)amino]-5-chloropyridine-3-carbonitrile is COCCN(CCOC)c1ncc(C#N)cc1Cl.
What is the InChIKey of 6-[bis(2-methoxyethyl)amino]-5-chloropyridine-3-carbonitrile?
The InChIKey is DJXLZHPAYFAQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-17-5-3-16(4-6-18-2)12-11(13)7-10(8-14)9-15-12/h7,9H,3-6H2,1-2H3.
What are the key properties of 6-[bis(2-methoxyethyl)amino]-5-chloropyridine-3-carbonitrile?
6-[bis(2-methoxyethyl)amino]-5-chloropyridine-3-carbonitrile has a molecular weight of 269.73 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-methoxyethyl)amino]-5-chloropyridine-3-carbonitrile is sourced from PubChem (CID 56785512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).