(2-amino-4,6-dichloro-3-pyridinyl)methyl formate

C7H6Cl2N2O2 — CID 174644042

IUPAC(2-amino-4,6-dichloro-3-pyridinyl)methyl formate
SMILESNc1nc(Cl)cc(Cl)c1COC=O
InChIInChI=1S/C7H6Cl2N2O2/c8-5-1-6(9)11-7(10)4(5)2-13-3-12/h1,3H,2H2,(H2,10,11)
InChIKeyJDKSQEODOIAYKJ-UHFFFAOYSA-N
MW221.04 g/mol
LogP1.64
Rot. Bonds3

About (2-amino-4,6-dichloro-3-pyridinyl)methyl formate

(2-amino-4,6-dichloro-3-pyridinyl)methyl formate (PubChem CID 174644042) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is (2-amino-4,6-dichloro-3-pyridinyl)methyl formate.

Molecular Properties

Compound Name(2-amino-4,6-dichloro-3-pyridinyl)methyl formate
PubChem CID174644042
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Name(2-amino-4,6-dichloro-3-pyridinyl)methyl formate
SMILESNc1nc(Cl)cc(Cl)c1COC=O
InChIInChI=1S/C7H6Cl2N2O2/c8-5-1-6(9)11-7(10)4(5)2-13-3-12/h1,3H,2H2,(H2,10,11)
InChIKeyJDKSQEODOIAYKJ-UHFFFAOYSA-N
XLogP1.64
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4,6-dichloro-3-pyridinyl)methyl formate?
The IUPAC name of (2-amino-4,6-dichloro-3-pyridinyl)methyl formate (CID 174644042) is (2-amino-4,6-dichloro-3-pyridinyl)methyl formate.
What is the SMILES notation for (2-amino-4,6-dichloro-3-pyridinyl)methyl formate?
The canonical SMILES for (2-amino-4,6-dichloro-3-pyridinyl)methyl formate is Nc1nc(Cl)cc(Cl)c1COC=O.
What is the InChIKey of (2-amino-4,6-dichloro-3-pyridinyl)methyl formate?
The InChIKey is JDKSQEODOIAYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c8-5-1-6(9)11-7(10)4(5)2-13-3-12/h1,3H,2H2,(H2,10,11).
What are the key properties of (2-amino-4,6-dichloro-3-pyridinyl)methyl formate?
(2-amino-4,6-dichloro-3-pyridinyl)methyl formate has a molecular weight of 221.04 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,6-dichloro-3-pyridinyl)methyl formate is sourced from PubChem (CID 174644042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).