6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid

C8H10ClN3O2 — CID 61402986

IUPAC6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid
SMILESNCCNc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C8H10ClN3O2/c9-5-1-2-6(11-4-3-10)12-7(5)8(13)14/h1-2H,3-4,10H2,(H,11,12)(H,13,14)
InChIKeyIOHWQDBFXDMVGD-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.80
Rot. Bonds4

About 6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid

6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid (PubChem CID 61402986) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid
PubChem CID61402986
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid
SMILESNCCNc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C8H10ClN3O2/c9-5-1-2-6(11-4-3-10)12-7(5)8(13)14/h1-2H,3-4,10H2,(H,11,12)(H,13,14)
InChIKeyIOHWQDBFXDMVGD-UHFFFAOYSA-N
XLogP0.80
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-(3-methylsulfanylpropylamino)pyridine-2-carboxylic acid
CID 63958515
3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid
CID 114131082
3-chloro-6-(2-prop-2-enylsulfanylethylamino)pyridine-2-carboxylic acid
CID 106429326
3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 54955037
3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 106261584
3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944509
3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid
CID 104591662
3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 83121539
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398
5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631692
3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid
CID 107645085
3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
CID 79241520

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid?
The IUPAC name of 6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid (CID 61402986) is 6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid is NCCNc1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid?
The InChIKey is IOHWQDBFXDMVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c9-5-1-2-6(11-4-3-10)12-7(5)8(13)14/h1-2H,3-4,10H2,(H,11,12)(H,13,14).
What are the key properties of 6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid?
6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid has a molecular weight of 215.64 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 61402986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).