2-amino-5-chloro-1H-imidazole-4-carboxylic acid

C4H4ClN3O2 — CID 84651302

IUPAC2-amino-5-chloro-1H-imidazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(Cl)[nH]1
InChIInChI=1S/C4H4ClN3O2/c5-2-1(3(9)10)7-4(6)8-2/h(H,9,10)(H3,6,7,8)
InChIKeySMPPHVBBBYKBKB-UHFFFAOYSA-N
MW161.55 g/mol
LogP0.34
Rot. Bonds1

About 2-amino-5-chloro-1H-imidazole-4-carboxylic acid

2-amino-5-chloro-1H-imidazole-4-carboxylic acid (PubChem CID 84651302) has the molecular formula C4H4ClN3O2 and a molecular weight of 161.55 g/mol. Its IUPAC name is 2-amino-5-chloro-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-chloro-1H-imidazole-4-carboxylic acid
PubChem CID84651302
Molecular FormulaC4H4ClN3O2
Molecular Weight161.55 g/mol
Exact Mass161.00
IUPAC Name2-amino-5-chloro-1H-imidazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(Cl)[nH]1
InChIInChI=1S/C4H4ClN3O2/c5-2-1(3(9)10)7-4(6)8-2/h(H,9,10)(H3,6,7,8)
InChIKeySMPPHVBBBYKBKB-UHFFFAOYSA-N
XLogP0.34
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.55
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-1H-imidazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-chloro-1H-imidazole-4-carboxylic acid (CID 84651302) is 2-amino-5-chloro-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-chloro-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-chloro-1H-imidazole-4-carboxylic acid is Nc1nc(C(=O)O)c(Cl)[nH]1.
What is the InChIKey of 2-amino-5-chloro-1H-imidazole-4-carboxylic acid?
The InChIKey is SMPPHVBBBYKBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3O2/c5-2-1(3(9)10)7-4(6)8-2/h(H,9,10)(H3,6,7,8).
What are the key properties of 2-amino-5-chloro-1H-imidazole-4-carboxylic acid?
2-amino-5-chloro-1H-imidazole-4-carboxylic acid has a molecular weight of 161.55 g/mol, XLogP of 0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 84651302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).