6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid

C9H11ClN2O4 — CID 65313622

IUPAC6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1NC(CO)CO
InChIInChI=1S/C9H11ClN2O4/c10-7-2-1-6(9(15)16)8(12-7)11-5(3-13)4-14/h1-2,5,13-14H,3-4H2,(H,11,12)(H,15,16)
InChIKeyHEKHBWRNSZEYMC-UHFFFAOYSA-N
MW246.65 g/mol
LogP0.20
Rot. Bonds5

About 6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid

6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 65313622) has the molecular formula C9H11ClN2O4 and a molecular weight of 246.65 g/mol. Its IUPAC name is 6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID65313622
Molecular FormulaC9H11ClN2O4
Molecular Weight246.65 g/mol
Exact Mass246.04
IUPAC Name6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1NC(CO)CO
InChIInChI=1S/C9H11ClN2O4/c10-7-2-1-6(9(15)16)8(12-7)11-5(3-13)4-14/h1-2,5,13-14H,3-4H2,(H,11,12)(H,15,16)
InChIKeyHEKHBWRNSZEYMC-UHFFFAOYSA-N
XLogP0.20
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 50.20
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-2-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid
CID 114093876
6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 63376973
6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid
CID 63376636
6-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylic acid
CID 114152080
6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 63537177
6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 114093940
6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 55182902
6-chloro-2-(3,5-dichloroanilino)pyridine-3-carboxylic acid
CID 55224523
6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid
CID 63380401
6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645109
6-chloro-2-(3-methylbut-2-enylamino)pyridine-3-carboxylic acid
CID 106189848
6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid
CID 63379862

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid (CID 65313622) is 6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1NC(CO)CO.
What is the InChIKey of 6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is HEKHBWRNSZEYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4/c10-7-2-1-6(9(15)16)8(12-7)11-5(3-13)4-14/h1-2,5,13-14H,3-4H2,(H,11,12)(H,15,16).
What are the key properties of 6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid?
6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 246.65 g/mol, XLogP of 0.20, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 65313622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).