3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride

C9H13Cl3N2 — CID 154733314

IUPAC3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride
SMILESCl.Cl.Clc1cncc(C2CCCN2)c1
InChIInChI=1S/C9H11ClN2.2ClH/c10-8-4-7(5-11-6-8)9-2-1-3-12-9;;/h4-6,9,12H,1-3H2;2*1H
InChIKeyMMQKGBWVLRCGNO-UHFFFAOYSA-N
MW255.58 g/mol
LogP3.00
Rot. Bonds1

About 3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride

3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride (PubChem CID 154733314) has the molecular formula C9H13Cl3N2 and a molecular weight of 255.58 g/mol. Its IUPAC name is 3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride.

Molecular Properties

Compound Name3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride
PubChem CID154733314
Molecular FormulaC9H13Cl3N2
Molecular Weight255.58 g/mol
Exact Mass254.01
IUPAC Name3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride
SMILESCl.Cl.Clc1cncc(C2CCCN2)c1
InChIInChI=1S/C9H11ClN2.2ClH/c10-8-4-7(5-11-6-8)9-2-1-3-12-9;;/h4-6,9,12H,1-3H2;2*1H
InChIKeyMMQKGBWVLRCGNO-UHFFFAOYSA-N
XLogP3.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.58
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R)-azetidin-2-yl]-5-chloropyridine
CID 130691845
3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487206
5-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55276544
(2R)-2-(5-chloro-3-pyridinyl)piperazine
CID 55273838
3-bromo-5-piperidin-2-ylpyridine;dihydrochloride
CID 122198515
3-methyl-5-[(2R)-piperidin-2-yl]pyridine
CID 96741558
3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine
CID 163261196
3-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 130624742
5-pyrrolidin-2-ylpyridine-3-carbaldehyde
CID 123459636
[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid
CID 124671778
3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine
CID 155988659
3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]prop-2-ynoic acid
CID 131871135

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride?
The IUPAC name of 3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride (CID 154733314) is 3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride.
What is the SMILES notation for 3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride?
The canonical SMILES for 3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride is Cl.Cl.Clc1cncc(C2CCCN2)c1.
What is the InChIKey of 3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride?
The InChIKey is MMQKGBWVLRCGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2.2ClH/c10-8-4-7(5-11-6-8)9-2-1-3-12-9;;/h4-6,9,12H,1-3H2;2*1H.
What are the key properties of 3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride?
3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride has a molecular weight of 255.58 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride is sourced from PubChem (CID 154733314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).