4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride

C8H10Cl2N2 — CID 171196638

IUPAC4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride
SMILESCl.Clc1cnccc1[C@@H]1CCN1
InChIInChI=1S/C8H9ClN2.ClH/c9-7-5-10-3-1-6(7)8-2-4-11-8;/h1,3,5,8,11H,2,4H2;1H/t8-;/m0./s1
InChIKeyGTYFWIYIYUFLBC-QRPNPIFTSA-N
MW205.09 g/mol
LogP2.19
Rot. Bonds1

About 4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride

4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride (PubChem CID 171196638) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride.

Molecular Properties

Compound Name4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride
PubChem CID171196638
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride
SMILESCl.Clc1cnccc1[C@@H]1CCN1
InChIInChI=1S/C8H9ClN2.ClH/c9-7-5-10-3-1-6(7)8-2-4-11-8;/h1,3,5,8,11H,2,4H2;1H/t8-;/m0./s1
InChIKeyGTYFWIYIYUFLBC-QRPNPIFTSA-N
XLogP2.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4542495
3-(3-chloro-4-pyridinyl)morpholine
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4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one
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3-chloro-4-piperidin-3-ylpyridine
CID 82399188
4-[(2R)-azetidin-2-yl]-3-chlorophenol
CID 130700334
(2R)-2-(2-chloro-4-methylphenyl)azetidine
CID 130738844
(2S)-2-(4-bromo-2-chlorophenyl)azetidine
CID 130624540
(2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197364
4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171197440
3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 79841307
4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene
CID 59518913

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride?
The IUPAC name of 4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride (CID 171196638) is 4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride.
What is the SMILES notation for 4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride?
The canonical SMILES for 4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride is Cl.Clc1cnccc1[C@@H]1CCN1.
What is the InChIKey of 4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride?
The InChIKey is GTYFWIYIYUFLBC-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H9ClN2.ClH/c9-7-5-10-3-1-6(7)8-2-4-11-8;/h1,3,5,8,11H,2,4H2;1H/t8-;/m0./s1.
What are the key properties of 4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride?
4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride has a molecular weight of 205.09 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride is sourced from PubChem (CID 171196638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).