4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium

C9H13Cl2N3O3 — CID 140823752

IUPAC4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium
SMILESCC(O)C[NH3+].Nc1cc(Cl)nc(C(=O)[O-])c1Cl
InChIInChI=1S/C6H4Cl2N2O2.C3H9NO/c7-3-1-2(9)4(8)5(10-3)6(11)12;1-3(5)2-4/h1H,(H2,9,10)(H,11,12);3,5H,2,4H2,1H3
InChIKeyGQWJKECIEOFLPX-UHFFFAOYSA-N
MW282.13 g/mol
LogP-1.06
Rot. Bonds2

About 4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium

4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium (PubChem CID 140823752) has the molecular formula C9H13Cl2N3O3 and a molecular weight of 282.13 g/mol. Its IUPAC name is 4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium.

Molecular Properties

Compound Name4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium
PubChem CID140823752
Molecular FormulaC9H13Cl2N3O3
Molecular Weight282.13 g/mol
Exact Mass281.03
IUPAC Name4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium
SMILESCC(O)C[NH3+].Nc1cc(Cl)nc(C(=O)[O-])c1Cl
InChIInChI=1S/C6H4Cl2N2O2.C3H9NO/c7-3-1-2(9)4(8)5(10-3)6(11)12;1-3(5)2-4/h1H,(H2,9,10)(H,11,12);3,5H,2,4H2,1H3
InChIKeyGQWJKECIEOFLPX-UHFFFAOYSA-N
XLogP-1.06
TPSA126.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;4-amino-3,6-dichloropyridine-2-carboxylate;4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 91827436
propan-2-yl 4-amino-3,6-dichloropyridine-2-carboxylate
CID 142076144
4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium
CID 141408842
4-amino-6-chloropyridine-2,3-dicarboxylic acid
CID 150705570
4-amino-3,6-dichloropyridine-2-carboxylic acid;1H-pyrrol-2-amine
CID 172766220
methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate
CID 88889558
4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 118799690
CID 147920792
CID 147920792
potassium 6-chloro-3-methylpyridine-2-carboxylate
CID 86707308
dilithium bis(4,6-dichloropyridazine-3-carboxylate)
CID 175822356
(2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol
CID 126987917
4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid
CID 69177481

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium?
The IUPAC name of 4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium (CID 140823752) is 4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium.
What is the SMILES notation for 4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium?
The canonical SMILES for 4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium is CC(O)C[NH3+].Nc1cc(Cl)nc(C(=O)[O-])c1Cl.
What is the InChIKey of 4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium?
The InChIKey is GQWJKECIEOFLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O2.C3H9NO/c7-3-1-2(9)4(8)5(10-3)6(11)12;1-3(5)2-4/h1H,(H2,9,10)(H,11,12);3,5H,2,4H2,1H3.
What are the key properties of 4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium?
4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium has a molecular weight of 282.13 g/mol, XLogP of -1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium is sourced from PubChem (CID 140823752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).