6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride

C8H10Cl2N2O2 — CID 68729153

IUPAC6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride
SMILESCl.NCCc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C8H9ClN2O2.ClH/c9-6-3-5(8(12)13)4-11-7(6)1-2-10;/h3-4H,1-2,10H2,(H,12,13);1H
InChIKeyCJSCIQIXDVMBJX-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.36
Rot. Bonds3

About 6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride

6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride (PubChem CID 68729153) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride
PubChem CID68729153
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride
SMILESCl.NCCc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C8H9ClN2O2.ClH/c9-6-3-5(8(12)13)4-11-7(6)1-2-10;/h3-4H,1-2,10H2,(H,12,13);1H
InChIKeyCJSCIQIXDVMBJX-UHFFFAOYSA-N
XLogP1.36
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 158860018
CID 158860018
tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine
CID 67427976
5-fluoro-6-propylpyridine-3-carboxylic acid
CID 145419429
6-chloro-5-fluoropyridine-3-carboxylic acid
CID 11513841
5-bromo-6-chloropyridine-3-carboxylic acid;hydrazine
CID 174723335
6-amino-5-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087190
6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid
CID 60903616
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
CID 115407319
6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118838293
3-(5,6-dichloro-3-pyridinyl)-3-oxopropanoic acid
CID 170886990
2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid
CID 71742726
6-chloroquinoline-3-carboxylic acid
CID 14241492

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride (CID 68729153) is 6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride is Cl.NCCc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride?
The InChIKey is CJSCIQIXDVMBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2.ClH/c9-6-3-5(8(12)13)4-11-7(6)1-2-10;/h3-4H,1-2,10H2,(H,12,13);1H.
What are the key properties of 6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride?
6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride has a molecular weight of 237.09 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 68729153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).