(6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C11H14ClN3O2 — CID 103358190

IUPAC(6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2nc(N)ccc2Cl)C1
InChIInChI=1S/C11H14ClN3O2/c1-11(17)4-5-15(6-11)10(16)9-7(12)2-3-8(13)14-9/h2-3,17H,4-6H2,1H3,(H2,13,14)
InChIKeySZJALBDBLASENS-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.91
Rot. Bonds1

About (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

(6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103358190) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103358190
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name(6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2nc(N)ccc2Cl)C1
InChIInChI=1S/C11H14ClN3O2/c1-11(17)4-5-15(6-11)10(16)9-7(12)2-3-8(13)14-9/h2-3,17H,4-6H2,1H3,(H2,13,14)
InChIKeySZJALBDBLASENS-UHFFFAOYSA-N
XLogP0.91
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103358190) is (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CC1(O)CCN(C(=O)c2nc(N)ccc2Cl)C1.
What is the InChIKey of (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is SZJALBDBLASENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-11(17)4-5-15(6-11)10(16)9-7(12)2-3-8(13)14-9/h2-3,17H,4-6H2,1H3,(H2,13,14).
What are the key properties of (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
(6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 255.70 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103358190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).