3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile

C11H12ClN3 — CID 107057088

IUPAC3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
SMILESCC1CCN(c2nccc(C#N)c2Cl)C1
InChIInChI=1S/C11H12ClN3/c1-8-3-5-15(7-8)11-10(12)9(6-13)2-4-14-11/h2,4,8H,3,5,7H2,1H3
InChIKeyZFMKRKFCBZHBCC-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.45
Rot. Bonds1

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

3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile (PubChem CID 107057088) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
PubChem CID107057088
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
SMILESCC1CCN(c2nccc(C#N)c2Cl)C1
InChIInChI=1S/C11H12ClN3/c1-8-3-5-15(7-8)11-10(12)9(6-13)2-4-14-11/h2,4,8H,3,5,7H2,1H3
InChIKeyZFMKRKFCBZHBCC-UHFFFAOYSA-N
XLogP2.45
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107058347
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
[3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 107055229
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-[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
2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061304
2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 107061429
3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
CID 82812744
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile (CID 107057088) is 3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile is CC1CCN(c2nccc(C#N)c2Cl)C1.
What is the InChIKey of 3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile?
The InChIKey is ZFMKRKFCBZHBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-8-3-5-15(7-8)11-10(12)9(6-13)2-4-14-11/h2,4,8H,3,5,7H2,1H3.
What are the key properties of 3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile?
3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile has a molecular weight of 221.69 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 107057088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).