5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine

C9H12ClN3 — CID 55273654

IUPAC5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
SMILESNc1ncc(Cl)cc1[C@@H]1CCCN1
InChIInChI=1S/C9H12ClN3/c10-6-4-7(9(11)13-5-6)8-2-1-3-12-8/h4-5,8,12H,1-3H2,(H2,11,13)/t8-/m0/s1
InChIKeyUCTHRIODOYYSSH-QMMMGPOBSA-N
MW197.67 g/mol
LogP1.74
Rot. Bonds1

About 5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine

5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine (PubChem CID 55273654) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
PubChem CID55273654
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
SMILESNc1ncc(Cl)cc1[C@@H]1CCCN1
InChIInChI=1S/C9H12ClN3/c10-6-4-7(9(11)13-5-6)8-2-1-3-12-8/h4-5,8,12H,1-3H2,(H2,11,13)/t8-/m0/s1
InChIKeyUCTHRIODOYYSSH-QMMMGPOBSA-N
XLogP1.74
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274526
3-(azepan-4-yl)-5-chloropyridin-2-amine
CID 83261814
2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline
CID 66519219
3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 130641922
3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine
CID 130663764
2-chloro-5-[(2R)-piperidin-2-yl]pyridin-4-amine
CID 130783796
3-methyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274525
2-(5-chloro-2,3-difluorophenyl)pyrrolidine
CID 84785733
3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 154733314
(2-amino-5-chloro-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547814
5-chloro-4-pyrrolidin-2-yl-1H-pyrazole
CID 84766127
(2R)-2-(2-bromo-5-chlorophenyl)pyrrolidine;hydrochloride
CID 171195900

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine (CID 55273654) is 5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine is Nc1ncc(Cl)cc1[C@@H]1CCCN1.
What is the InChIKey of 5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
The InChIKey is UCTHRIODOYYSSH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-6-4-7(9(11)13-5-6)8-2-1-3-12-8/h4-5,8,12H,1-3H2,(H2,11,13)/t8-/m0/s1.
What are the key properties of 5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine has a molecular weight of 197.67 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 55273654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).