5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid

C13H19ClN2O3 — CID 106350408

IUPAC5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid
SMILESCC(C)(C)C(CCO)Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C13H19ClN2O3/c1-13(2,3)10(4-5-17)16-11-6-8(12(18)19)9(14)7-15-11/h6-7,10,17H,4-5H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyPZPTXBCXDXOXSR-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.64
Rot. Bonds5

About 5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid

5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid (PubChem CID 106350408) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid
PubChem CID106350408
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid
SMILESCC(C)(C)C(CCO)Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C13H19ClN2O3/c1-13(2,3)10(4-5-17)16-11-6-8(12(18)19)9(14)7-15-11/h6-7,10,17H,4-5H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyPZPTXBCXDXOXSR-UHFFFAOYSA-N
XLogP2.64
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
CID 102906562
5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114920020
5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 114919973
5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106329975
2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 106096927
5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
CID 107317996
5-chloro-2-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 114919545
5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 114919705
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114177024
5-chloro-2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 114919676
3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 114178348

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid (CID 106350408) is 5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid is CC(C)(C)C(CCO)Nc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is PZPTXBCXDXOXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-13(2,3)10(4-5-17)16-11-6-8(12(18)19)9(14)7-15-11/h6-7,10,17H,4-5H2,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid?
5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 286.76 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106350408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).