3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid

C9H11ClN2O4 — CID 170828444

IUPAC3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid
SMILESNCC(O)C(O)c1ccc(Cl)nc1C(=O)O
InChIInChI=1S/C9H11ClN2O4/c10-6-2-1-4(7(12-6)9(15)16)8(14)5(13)3-11/h1-2,5,8,13-14H,3,11H2,(H,15,16)
InChIKeyKVWSZYXRQYIFLP-UHFFFAOYSA-N
MW246.65 g/mol
LogP-0.21
Rot. Bonds4

About 3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid

3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid (PubChem CID 170828444) has the molecular formula C9H11ClN2O4 and a molecular weight of 246.65 g/mol. Its IUPAC name is 3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid
PubChem CID170828444
Molecular FormulaC9H11ClN2O4
Molecular Weight246.65 g/mol
Exact Mass246.04
IUPAC Name3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid
SMILESNCC(O)C(O)c1ccc(Cl)nc1C(=O)O
InChIInChI=1S/C9H11ClN2O4/c10-6-2-1-4(7(12-6)9(15)16)8(14)5(13)3-11/h1-2,5,8,13-14H,3,11H2,(H,15,16)
InChIKeyKVWSZYXRQYIFLP-UHFFFAOYSA-N
XLogP-0.21
TPSA116.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
CID 171901389
3-(4-acetamido-1,2-dihydroxybutyl)-6-chloropyridine-2-carboxylic acid
CID 171883472
6-chloro-3-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-2-carboxylic acid
CID 171866522
6-chloro-3-propan-2-ylpyridine-2-carboxylic acid
CID 84721154
5-(3-amino-1,2-dihydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 170828642
3-(3-amino-1,2-dihydroxypropyl)-4-chlorobenzoic acid
CID 170828286
3,6-dichloropyridine-2-carboxylic acid;propan-2-amine
CID 174671655
3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol
CID 170827531
3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol
CID 170828786
3-(3-amino-1,2-dihydroxypropyl)thiophene-2-carboxylic acid
CID 170827636
4-(3-amino-1,2-dihydroxypropyl)-2-chloro-5-fluorobenzoic acid
CID 170828597
3-(3-amino-1,2-dihydroxypropyl)-4-hydroxybenzoic acid
CID 170828381

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid?
The IUPAC name of 3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid (CID 170828444) is 3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid is NCC(O)C(O)c1ccc(Cl)nc1C(=O)O.
What is the InChIKey of 3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid?
The InChIKey is KVWSZYXRQYIFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4/c10-6-2-1-4(7(12-6)9(15)16)8(14)5(13)3-11/h1-2,5,8,13-14H,3,11H2,(H,15,16).
What are the key properties of 3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid?
3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid has a molecular weight of 246.65 g/mol, XLogP of -0.21, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 170828444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).