(3-amino-4-pyridinyl)methanol;chloroform;dioxomanganese

C7H9Cl3MnN2O3 — CID 159501556

IUPAC(3-amino-4-pyridinyl)methanol;chloroform;dioxomanganese
SMILESClC(Cl)Cl.Nc1cnccc1CO.O=[Mn]=O
InChIInChI=1S/C6H8N2O.CHCl3.Mn.2O/c7-6-3-8-2-1-5(6)4-9;2-1(3)4;;;/h1-3,9H,4,7H2;1H;;;
InChIKeyYUPQPNXRXOOXES-UHFFFAOYSA-N
MW330.46 g/mol
LogP1.90
Rot. Bonds1

About (3-amino-4-pyridinyl)methanol;chloroform;dioxomanganese

(3-amino-4-pyridinyl)methanol;chloroform;dioxomanganese (PubChem CID 159501556) has the molecular formula C7H9Cl3MnN2O3 and a molecular weight of 330.46 g/mol. Its IUPAC name is (3-amino-4-pyridinyl)methanol;chloroform;dioxomanganese.

Molecular Properties

Compound Name(3-amino-4-pyridinyl)methanol;chloroform;dioxomanganese
PubChem CID159501556
Molecular FormulaC7H9Cl3MnN2O3
Molecular Weight330.46 g/mol
Exact Mass328.91
IUPAC Name(3-amino-4-pyridinyl)methanol;chloroform;dioxomanganese
SMILESClC(Cl)Cl.Nc1cnccc1CO.O=[Mn]=O
InChIInChI=1S/C6H8N2O.CHCl3.Mn.2O/c7-6-3-8-2-1-5(6)4-9;2-1(3)4;;;/h1-3,9H,4,7H2;1H;;;
InChIKeyYUPQPNXRXOOXES-UHFFFAOYSA-N
XLogP1.90
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-pyridinyl)methanol;chloroform;dioxomanganese?
The IUPAC name of (3-amino-4-pyridinyl)methanol;chloroform;dioxomanganese (CID 159501556) is (3-amino-4-pyridinyl)methanol;chloroform;dioxomanganese.
What is the SMILES notation for (3-amino-4-pyridinyl)methanol;chloroform;dioxomanganese?
The canonical SMILES for (3-amino-4-pyridinyl)methanol;chloroform;dioxomanganese is ClC(Cl)Cl.Nc1cnccc1CO.O=[Mn]=O.
What is the InChIKey of (3-amino-4-pyridinyl)methanol;chloroform;dioxomanganese?
The InChIKey is YUPQPNXRXOOXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.CHCl3.Mn.2O/c7-6-3-8-2-1-5(6)4-9;2-1(3)4;;;/h1-3,9H,4,7H2;1H;;;.
What are the key properties of (3-amino-4-pyridinyl)methanol;chloroform;dioxomanganese?
(3-amino-4-pyridinyl)methanol;chloroform;dioxomanganese has a molecular weight of 330.46 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-pyridinyl)methanol;chloroform;dioxomanganese is sourced from PubChem (CID 159501556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).