3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile

C13H16ClN3 — CID 107058347

IUPAC3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
SMILESCC(C)C1CCN(c2nccc(C#N)c2Cl)C1
InChIInChI=1S/C13H16ClN3/c1-9(2)11-4-6-17(8-11)13-12(14)10(7-15)3-5-16-13/h3,5,9,11H,4,6,8H2,1-2H3
InChIKeyPBMAVOKFQGNWPD-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.09
Rot. Bonds2

About 3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile

3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile (PubChem CID 107058347) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
PubChem CID107058347
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
SMILESCC(C)C1CCN(c2nccc(C#N)c2Cl)C1
InChIInChI=1S/C13H16ClN3/c1-9(2)11-4-6-17(8-11)13-12(14)10(7-15)3-5-16-13/h3,5,9,11H,4,6,8H2,1-2H3
InChIKeyPBMAVOKFQGNWPD-UHFFFAOYSA-N
XLogP3.09
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107057088
3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile
CID 107057012
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061360
N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 107058314
3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile
CID 107057553
2-(3-propan-2-ylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115689794
2-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 107056581
3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile
CID 107059231
4-ethyl-3-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 170578039
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
CID 82812744
3-chloro-4-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile
CID 113417453

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile (CID 107058347) is 3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile is CC(C)C1CCN(c2nccc(C#N)c2Cl)C1.
What is the InChIKey of 3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile?
The InChIKey is PBMAVOKFQGNWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9(2)11-4-6-17(8-11)13-12(14)10(7-15)3-5-16-13/h3,5,9,11H,4,6,8H2,1-2H3.
What are the key properties of 3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile?
3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile has a molecular weight of 249.74 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 107058347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).