5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid

C12H13ClN4O2 — CID 114919507

IUPAC5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
SMILESCn1ccnc1CCNc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C12H13ClN4O2/c1-17-5-4-15-11(17)2-3-14-10-6-8(12(18)19)9(13)7-16-10/h4-7H,2-3H2,1H3,(H,14,16)(H,18,19)
InChIKeyXDIGLZPGYIQLGK-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.82
Rot. Bonds5

About 5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid

5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 114919507) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
PubChem CID114919507
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
SMILESCn1ccnc1CCNc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C12H13ClN4O2/c1-17-5-4-15-11(17)2-3-14-10-6-8(12(18)19)9(13)7-16-10/h4-7H,2-3H2,1H3,(H,14,16)(H,18,19)
InChIKeyXDIGLZPGYIQLGK-UHFFFAOYSA-N
XLogP1.82
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114918135
4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 83182047
5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 114175613
5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
CID 114919693
5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114125776
5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid
CID 107853620
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527468
5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 79556038
2-chloro-5-[(1-methylimidazol-2-yl)methylcarbamoylamino]benzoic acid
CID 63294627
5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
CID 102906562

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid (CID 114919507) is 5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid is Cn1ccnc1CCNc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is XDIGLZPGYIQLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-17-5-4-15-11(17)2-3-14-10-6-8(12(18)19)9(13)7-16-10/h4-7H,2-3H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid?
5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 280.72 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).