4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid

C10H12Cl2N4O2 — CID 123681527

IUPAC4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid
SMILESNc1nc(N2CCN(C(=O)O)CC2)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N4O2/c11-6-5-7(12)9(14-8(6)13)15-1-3-16(4-2-15)10(17)18/h5H,1-4H2,(H2,13,14)(H,17,18)
InChIKeyYMFKETFRPWWFTF-UHFFFAOYSA-N
MW291.14 g/mol
LogP1.77
Rot. Bonds1

About 4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid

4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid (PubChem CID 123681527) has the molecular formula C10H12Cl2N4O2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid
PubChem CID123681527
Molecular FormulaC10H12Cl2N4O2
Molecular Weight291.14 g/mol
Exact Mass290.03
IUPAC Name4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid
SMILESNc1nc(N2CCN(C(=O)O)CC2)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N4O2/c11-6-5-7(12)9(14-8(6)13)15-1-3-16(4-2-15)10(17)18/h5H,1-4H2,(H2,13,14)(H,17,18)
InChIKeyYMFKETFRPWWFTF-UHFFFAOYSA-N
XLogP1.77
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-amino-3,5-dichloro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 102759205
3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine
CID 102755362
4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid
CID 87383897
4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylic acid
CID 118063077
1-(6-amino-3,5-dichloro-2-pyridinyl)piperidine-3-carboxamide
CID 102754346
4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 123796335
1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 102762358
4-(4-amino-2-chlorophenyl)piperazine-1-carboxylic acid
CID 67441822
4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 68913848
3,5-dichloro-6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine
CID 102755279
4-[6-(aminomethyl)-5-chloro-3-methoxycarbonyl-2-pyridinyl]piperazine-1-carboxylic acid
CID 129098059
4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid
CID 69322377

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid (CID 123681527) is 4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid is Nc1nc(N2CCN(C(=O)O)CC2)c(Cl)cc1Cl.
What is the InChIKey of 4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid?
The InChIKey is YMFKETFRPWWFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N4O2/c11-6-5-7(12)9(14-8(6)13)15-1-3-16(4-2-15)10(17)18/h5H,1-4H2,(H2,13,14)(H,17,18).
What are the key properties of 4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid?
4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid has a molecular weight of 291.14 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 123681527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).