6-chloro-4-(propylamino)pyridine-3-carboxylic acid

C9H11ClN2O2 — CID 115028932

IUPAC6-chloro-4-(propylamino)pyridine-3-carboxylic acid
SMILESCCCNc1cc(Cl)ncc1C(=O)O
InChIInChI=1S/C9H11ClN2O2/c1-2-3-11-7-4-8(10)12-5-6(7)9(13)14/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyISYBNCURSVPKPE-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.26
Rot. Bonds4

About 6-chloro-4-(propylamino)pyridine-3-carboxylic acid

6-chloro-4-(propylamino)pyridine-3-carboxylic acid (PubChem CID 115028932) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 6-chloro-4-(propylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-(propylamino)pyridine-3-carboxylic acid
PubChem CID115028932
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name6-chloro-4-(propylamino)pyridine-3-carboxylic acid
SMILESCCCNc1cc(Cl)ncc1C(=O)O
InChIInChI=1S/C9H11ClN2O2/c1-2-3-11-7-4-8(10)12-5-6(7)9(13)14/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyISYBNCURSVPKPE-UHFFFAOYSA-N
XLogP2.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone
CID 167425461
6-chloro-4-methyl-N-propylpyridin-3-amine
CID 130497608
5-butyl-2-chloropyridine-4-carboxylic acid
CID 87261779
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
N-(4-chlorophenyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81238211
6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 164529757
6-chloro-4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyridine-3-carboxylic acid
CID 166590618
4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
CID 81244685
6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 81243971
6-chloro-4-[(2,2,2-trichloroacetyl)carbamoylamino]pyridine-3-carboxylic acid
CID 174214058
6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide
CID 146277774
2-(4-chlorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169167

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(propylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-4-(propylamino)pyridine-3-carboxylic acid (CID 115028932) is 6-chloro-4-(propylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-(propylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-(propylamino)pyridine-3-carboxylic acid is CCCNc1cc(Cl)ncc1C(=O)O.
What is the InChIKey of 6-chloro-4-(propylamino)pyridine-3-carboxylic acid?
The InChIKey is ISYBNCURSVPKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-2-3-11-7-4-8(10)12-5-6(7)9(13)14/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 6-chloro-4-(propylamino)pyridine-3-carboxylic acid?
6-chloro-4-(propylamino)pyridine-3-carboxylic acid has a molecular weight of 214.65 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(propylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 115028932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).