3-chloro-6-[2-cyclopropylethyl(methyl)amino]pyridine-2-carbonitrile

C12H14ClN3 — CID 133398586

IUPAC3-chloro-6-[2-cyclopropylethyl(methyl)amino]pyridine-2-carbonitrile
SMILESCN(CCC1CC1)c1ccc(Cl)c(C#N)n1
InChIInChI=1S/C12H14ClN3/c1-16(7-6-9-2-3-9)12-5-4-10(13)11(8-14)15-12/h4-5,9H,2-3,6-7H2,1H3
InChIKeyHXLZJOHWMUOCMG-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.84
Rot. Bonds4

About 3-chloro-6-[2-cyclopropylethyl(methyl)amino]pyridine-2-carbonitrile

3-chloro-6-[2-cyclopropylethyl(methyl)amino]pyridine-2-carbonitrile (PubChem CID 133398586) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 3-chloro-6-[2-cyclopropylethyl(methyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[2-cyclopropylethyl(methyl)amino]pyridine-2-carbonitrile
PubChem CID133398586
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name3-chloro-6-[2-cyclopropylethyl(methyl)amino]pyridine-2-carbonitrile
SMILESCN(CCC1CC1)c1ccc(Cl)c(C#N)n1
InChIInChI=1S/C12H14ClN3/c1-16(7-6-9-2-3-9)12-5-4-10(13)11(8-14)15-12/h4-5,9H,2-3,6-7H2,1H3
InChIKeyHXLZJOHWMUOCMG-UHFFFAOYSA-N
XLogP2.84
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-cyclopropylethyl(methyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[2-cyclopropylethyl(methyl)amino]pyridine-2-carbonitrile (CID 133398586) is 3-chloro-6-[2-cyclopropylethyl(methyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[2-cyclopropylethyl(methyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[2-cyclopropylethyl(methyl)amino]pyridine-2-carbonitrile is CN(CCC1CC1)c1ccc(Cl)c(C#N)n1.
What is the InChIKey of 3-chloro-6-[2-cyclopropylethyl(methyl)amino]pyridine-2-carbonitrile?
The InChIKey is HXLZJOHWMUOCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-16(7-6-9-2-3-9)12-5-4-10(13)11(8-14)15-12/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 3-chloro-6-[2-cyclopropylethyl(methyl)amino]pyridine-2-carbonitrile?
3-chloro-6-[2-cyclopropylethyl(methyl)amino]pyridine-2-carbonitrile has a molecular weight of 235.72 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-cyclopropylethyl(methyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133398586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).