2,3-dichloro-4-pyrrolidin-1-ylpyridine

C9H10Cl2N2 — CID 87606916

IUPAC2,3-dichloro-4-pyrrolidin-1-ylpyridine
SMILESClc1nccc(N2CCCC2)c1Cl
InChIInChI=1S/C9H10Cl2N2/c10-8-7(3-4-12-9(8)11)13-5-1-2-6-13/h3-4H,1-2,5-6H2
InChIKeyWMACXVBPPVMDQW-UHFFFAOYSA-N
MW217.10 g/mol
LogP2.99
Rot. Bonds1

About 2,3-dichloro-4-pyrrolidin-1-ylpyridine

2,3-dichloro-4-pyrrolidin-1-ylpyridine (PubChem CID 87606916) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 2,3-dichloro-4-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2,3-dichloro-4-pyrrolidin-1-ylpyridine
PubChem CID87606916
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC Name2,3-dichloro-4-pyrrolidin-1-ylpyridine
SMILESClc1nccc(N2CCCC2)c1Cl
InChIInChI=1S/C9H10Cl2N2/c10-8-7(3-4-12-9(8)11)13-5-1-2-6-13/h3-4H,1-2,5-6H2
InChIKeyWMACXVBPPVMDQW-UHFFFAOYSA-N
XLogP2.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1'-(2,3-dichloro-4-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57470420
4-(azepan-1-yl)-6-chloroquinoline
CID 110434360
2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine
CID 66850226
3-fluoro-2-methyl-4-pyrrolidin-1-ylpyridine
CID 141285362
2-methyl-4-piperidin-1-ylpyridin-3-amine
CID 84663570
2-cyclobutyl-7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 91013524
4-(2,3-dichloro-4-pyrrolidin-1-ylphenoxy)quinoline
CID 177172506
2-chloro-3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine
CID 83791487
1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole
CID 119094004
7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
CID 84695504
4-pyrrolidin-1-ylpyridine-3-carbaldehyde
CID 10607369
2-(azepan-1-yl)-3-chloropyridine-4-carboxylic acid
CID 107062188

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-pyrrolidin-1-ylpyridine?
The IUPAC name of 2,3-dichloro-4-pyrrolidin-1-ylpyridine (CID 87606916) is 2,3-dichloro-4-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2,3-dichloro-4-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2,3-dichloro-4-pyrrolidin-1-ylpyridine is Clc1nccc(N2CCCC2)c1Cl.
What is the InChIKey of 2,3-dichloro-4-pyrrolidin-1-ylpyridine?
The InChIKey is WMACXVBPPVMDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2/c10-8-7(3-4-12-9(8)11)13-5-1-2-6-13/h3-4H,1-2,5-6H2.
What are the key properties of 2,3-dichloro-4-pyrrolidin-1-ylpyridine?
2,3-dichloro-4-pyrrolidin-1-ylpyridine has a molecular weight of 217.10 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 87606916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).