3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile

C9H10ClN3 — CID 107056896

IUPAC3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile
SMILESCCN(C)c1nccc(C#N)c1Cl
InChIInChI=1S/C9H10ClN3/c1-3-13(2)9-8(10)7(6-11)4-5-12-9/h4-5H,3H2,1-2H3
InChIKeyMADIJZFMIFEPHD-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.06
Rot. Bonds2

About 3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile

3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile (PubChem CID 107056896) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile
PubChem CID107056896
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile
SMILESCCN(C)c1nccc(C#N)c1Cl
InChIInChI=1S/C9H10ClN3/c1-3-13(2)9-8(10)7(6-11)4-5-12-9/h4-5H,3H2,1-2H3
InChIKeyMADIJZFMIFEPHD-UHFFFAOYSA-N
XLogP2.06
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile
CID 107058480
3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile
CID 107057550
2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide
CID 107056929
3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 107056611
3-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 107057707
2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide
CID 145106403
3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 107057326
3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile
CID 107057155
N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416915
4-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]benzoic acid
CID 107056589
3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile
CID 107057272
3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
CID 107059108

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile (CID 107056896) is 3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile is CCN(C)c1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile?
The InChIKey is MADIJZFMIFEPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-3-13(2)9-8(10)7(6-11)4-5-12-9/h4-5H,3H2,1-2H3.
What are the key properties of 3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile?
3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile has a molecular weight of 195.65 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107056896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).