(6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

C10H12ClN3O3 — CID 106673826

IUPAC(6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESNc1ccc(Cl)c(C(=O)N2CC(O)C(O)C2)n1
InChIInChI=1S/C10H12ClN3O3/c11-5-1-2-8(12)13-9(5)10(17)14-3-6(15)7(16)4-14/h1-2,6-7,15-16H,3-4H2,(H2,12,13)
InChIKeyNZGREADVHUYBMV-UHFFFAOYSA-N
MW257.68 g/mol
LogP-0.51
Rot. Bonds1

About (6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

(6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (PubChem CID 106673826) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is (6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
PubChem CID106673826
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name(6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESNc1ccc(Cl)c(C(=O)N2CC(O)C(O)C2)n1
InChIInChI=1S/C10H12ClN3O3/c11-5-1-2-8(12)13-9(5)10(17)14-3-6(15)7(16)4-14/h1-2,6-7,15-16H,3-4H2,(H2,12,13)
InChIKeyNZGREADVHUYBMV-UHFFFAOYSA-N
XLogP-0.51
TPSA99.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (CID 106673826) is (6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is Nc1ccc(Cl)c(C(=O)N2CC(O)C(O)C2)n1.
What is the InChIKey of (6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The InChIKey is NZGREADVHUYBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c11-5-1-2-8(12)13-9(5)10(17)14-3-6(15)7(16)4-14/h1-2,6-7,15-16H,3-4H2,(H2,12,13).
What are the key properties of (6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
(6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone has a molecular weight of 257.68 g/mol, XLogP of -0.51, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 106673826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).