2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid

C14H21ClN2O2 — CID 63538354

IUPAC2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(C)(C)CC(C)(C)Nc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C14H21ClN2O2/c1-13(2,3)8-14(4,5)17-11-7-9(12(18)19)6-10(15)16-11/h6-7H,8H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyPRCJEFZIEIDZOF-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.06
Rot. Bonds4

About 2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid

2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid (PubChem CID 63538354) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid
PubChem CID63538354
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(C)(C)CC(C)(C)Nc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C14H21ClN2O2/c1-13(2,3)8-14(4,5)17-11-7-9(12(18)19)6-10(15)16-11/h6-7H,8H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyPRCJEFZIEIDZOF-UHFFFAOYSA-N
XLogP4.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.06
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

2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 21430349
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617465
2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid
CID 43166600
2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43553797
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid
CID 43343670
2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 43546272
2-(but-3-yn-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 114417592
2-[(4-amino-4-oxobutyl)amino]-6-chloropyridine-4-carboxylic acid
CID 60864506
2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
CID 43552562
2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 106248046
2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 43568560
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid (CID 63538354) is 2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid is CC(C)(C)CC(C)(C)Nc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid?
The InChIKey is PRCJEFZIEIDZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-13(2,3)8-14(4,5)17-11-7-9(12(18)19)6-10(15)16-11/h6-7H,8H2,1-5H3,(H,16,17)(H,18,19).
What are the key properties of 2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid?
2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid has a molecular weight of 284.79 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 63538354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).