5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid

C12H15ClN2O2 — CID 114919974

IUPAC5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid
SMILESCC(CNc1cc(C(=O)O)c(Cl)cn1)C1CC1
InChIInChI=1S/C12H15ClN2O2/c1-7(8-2-3-8)5-14-11-4-9(12(16)17)10(13)6-15-11/h4,6-8H,2-3,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyXPXPPRZKANEDAJ-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.89
Rot. Bonds5

About 5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid

5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid (PubChem CID 114919974) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid
PubChem CID114919974
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid
SMILESCC(CNc1cc(C(=O)O)c(Cl)cn1)C1CC1
InChIInChI=1S/C12H15ClN2O2/c1-7(8-2-3-8)5-14-11-4-9(12(16)17)10(13)6-15-11/h4,6-8H,2-3,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyXPXPPRZKANEDAJ-UHFFFAOYSA-N
XLogP2.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 114919676
5-chloro-N-(2-cyclopropylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924516
5-chloro-N-(2-cyclopropylpropyl)pyridin-2-amine
CID 115658742
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
5-chloro-N-(dicyclopropylmethyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923170
5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
CID 114919693
5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 114919973
6-(2-cyclopropylpropylamino)-N,N-dimethylpyridine-3-carboxamide
CID 115623811
5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106329975
5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114920020
5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
CID 107317996

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid (CID 114919974) is 5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid is CC(CNc1cc(C(=O)O)c(Cl)cn1)C1CC1.
What is the InChIKey of 5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid?
The InChIKey is XPXPPRZKANEDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7(8-2-3-8)5-14-11-4-9(12(16)17)10(13)6-15-11/h4,6-8H,2-3,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid?
5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid has a molecular weight of 254.72 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114919974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).