4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine

C10H10Cl2N4O2 — CID 172766220

IUPAC4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine
SMILESNc1cc(Cl)nc(C(=O)O)c1Cl.Nc1ccc[nH]1
InChIInChI=1S/C6H4Cl2N2O2.C4H6N2/c7-3-1-2(9)4(8)5(10-3)6(11)12;5-4-2-1-3-6-4/h1H,(H2,9,10)(H,11,12);1-3,6H,5H2
InChIKeyMIRSKDFGZOPKGN-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.27
Rot. Bonds1

About 4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine

4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine (PubChem CID 172766220) has the molecular formula C10H10Cl2N4O2 and a molecular weight of 289.12 g/mol. Its IUPAC name is 4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine.

Molecular Properties

Compound Name4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine
PubChem CID172766220
Molecular FormulaC10H10Cl2N4O2
Molecular Weight289.12 g/mol
Exact Mass288.02
IUPAC Name4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine
SMILESNc1cc(Cl)nc(C(=O)O)c1Cl.Nc1ccc[nH]1
InChIInChI=1S/C6H4Cl2N2O2.C4H6N2/c7-3-1-2(9)4(8)5(10-3)6(11)12;5-4-2-1-3-6-4/h1H,(H2,9,10)(H,11,12);1-3,6H,5H2
InChIKeyMIRSKDFGZOPKGN-UHFFFAOYSA-N
XLogP2.27
TPSA118.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine?
The IUPAC name of 4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine (CID 172766220) is 4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine.
What is the SMILES notation for 4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine?
The canonical SMILES for 4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine is Nc1cc(Cl)nc(C(=O)O)c1Cl.Nc1ccc[nH]1.
What is the InChIKey of 4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine?
The InChIKey is MIRSKDFGZOPKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O2.C4H6N2/c7-3-1-2(9)4(8)5(10-3)6(11)12;5-4-2-1-3-6-4/h1H,(H2,9,10)(H,11,12);1-3,6H,5H2.
What are the key properties of 4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine?
4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine has a molecular weight of 289.12 g/mol, XLogP of 2.27, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine is sourced from PubChem (CID 172766220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).