2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile

C13H17ClN4 — CID 83076830

IUPAC2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile
SMILESCN(C)CC1CCCN1c1cc(C#N)cc(Cl)n1
InChIInChI=1S/C13H17ClN4/c1-17(2)9-11-4-3-5-18(11)13-7-10(8-15)6-12(14)16-13/h6-7,11H,3-5,9H2,1-2H3
InChIKeyXVOZWSXHPWWVHC-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.14
Rot. Bonds3

About 2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile

2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile (PubChem CID 83076830) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile
PubChem CID83076830
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile
SMILESCN(C)CC1CCCN1c1cc(C#N)cc(Cl)n1
InChIInChI=1S/C13H17ClN4/c1-17(2)9-11-4-3-5-18(11)13-7-10(8-15)6-12(14)16-13/h6-7,11H,3-5,9H2,1-2H3
InChIKeyXVOZWSXHPWWVHC-UHFFFAOYSA-N
XLogP2.14
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 83076327
1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80951641
2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile
CID 83073110
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62888978
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80825077
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-chloropyridine-4-carbonitrile
CID 83076239
1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 106775658
2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 83220184
4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129320611
1-[1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 83155383
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine
CID 80934977
2-bromo-4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzonitrile
CID 107276305

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile (CID 83076830) is 2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile is CN(C)CC1CCCN1c1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is XVOZWSXHPWWVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-17(2)9-11-4-3-5-18(11)13-7-10(8-15)6-12(14)16-13/h6-7,11H,3-5,9H2,1-2H3.
What are the key properties of 2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile?
2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 264.76 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 83076830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).