(3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol

C9H13N3O — CID 94895351

IUPAC(3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol
SMILESNc1ccnc(N2CC[C@@H](O)C2)c1
InChIInChI=1S/C9H13N3O/c10-7-1-3-11-9(5-7)12-4-2-8(13)6-12/h1,3,5,8,13H,2,4,6H2,(H2,10,11)/t8-/m1/s1
InChIKeyBWZRAAQFAWBENF-MRVPVSSYSA-N
MW179.22 g/mol
LogP0.23
Rot. Bonds1

About (3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol

(3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol (PubChem CID 94895351) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol
PubChem CID94895351
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol
SMILESNc1ccnc(N2CC[C@@H](O)C2)c1
InChIInChI=1S/C9H13N3O/c10-7-1-3-11-9(5-7)12-4-2-8(13)6-12/h1,3,5,8,13H,2,4,6H2,(H2,10,11)/t8-/m1/s1
InChIKeyBWZRAAQFAWBENF-MRVPVSSYSA-N
XLogP0.23
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147
2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-4-amine
CID 130140544
2-[(3R)-3-methoxypiperidin-1-yl]pyridin-4-amine
CID 129413992
2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82695712
2-(4-cyclopentylpiperazin-1-yl)pyridin-4-amine
CID 62367922
2-[3-(methoxymethyl)piperidin-1-yl]pyridin-4-amine
CID 106585882
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide
CID 136924688
2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine
CID 114543057
(3S)-1-[4-(2-amino-5-cyclopropyloxybenzenecarboximidoyl)-2-pyridinyl]pyrrolidin-3-ol
CID 131969653
1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 56770168
1-(4-amino-2-bromophenyl)pyrrolidin-3-ol
CID 62917357

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol (CID 94895351) is (3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol is Nc1ccnc(N2CC[C@@H](O)C2)c1.
What is the InChIKey of (3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol?
The InChIKey is BWZRAAQFAWBENF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-7-1-3-11-9(5-7)12-4-2-8(13)6-12/h1,3,5,8,13H,2,4,6H2,(H2,10,11)/t8-/m1/s1.
What are the key properties of (3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol?
(3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol has a molecular weight of 179.22 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 94895351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).