5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid

C10H13ClN2O2S — CID 114919973

IUPAC5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid
SMILESCSCC(C)Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C10H13ClN2O2S/c1-6(5-16-2)13-9-3-7(10(14)15)8(11)4-12-9/h3-4,6H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyQIKYBVOQKWCGSW-UHFFFAOYSA-N
MW260.75 g/mol
LogP2.60
Rot. Bonds5

About 5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid

5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid (PubChem CID 114919973) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid
PubChem CID114919973
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid
SMILESCSCC(C)Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C10H13ClN2O2S/c1-6(5-16-2)13-9-3-7(10(14)15)8(11)4-12-9/h3-4,6H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyQIKYBVOQKWCGSW-UHFFFAOYSA-N
XLogP2.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 114919676
5-chloro-2-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 114919545
5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
CID 102906562
5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid
CID 106350408
5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 114919705
2-[1-(3-bromophenyl)ethylamino]-5-chloropyridine-4-carboxylic acid
CID 114919409
5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 114919974
5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106329975
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114920020
5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114924378
2-butan-2-ylsulfanyl-5-chloropyridine-4-carboxylic acid
CID 114920088

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid (CID 114919973) is 5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid is CSCC(C)Nc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid?
The InChIKey is QIKYBVOQKWCGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-6(5-16-2)13-9-3-7(10(14)15)8(11)4-12-9/h3-4,6H,5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid?
5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid has a molecular weight of 260.75 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114919973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).