4-amino-3,5-dichloro-6-cyclopropylpyridine-2-carboxylic acid

C9H8Cl2N2O2 — CID 67419984

IUPAC4-amino-3,5-dichloro-6-cyclopropylpyridine-2-carboxylic acid
SMILESNc1c(Cl)c(C(=O)O)nc(C2CC2)c1Cl
InChIInChI=1S/C9H8Cl2N2O2/c10-4-6(12)5(11)8(9(14)15)13-7(4)3-1-2-3/h3H,1-2H2,(H2,12,13)(H,14,15)
InChIKeyILTLVVKUKQEONT-UHFFFAOYSA-N
MW247.08 g/mol
LogP2.55
Rot. Bonds2

About 4-amino-3,5-dichloro-6-cyclopropylpyridine-2-carboxylic acid

4-amino-3,5-dichloro-6-cyclopropylpyridine-2-carboxylic acid (PubChem CID 67419984) has the molecular formula C9H8Cl2N2O2 and a molecular weight of 247.08 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-6-cyclopropylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3,5-dichloro-6-cyclopropylpyridine-2-carboxylic acid
PubChem CID67419984
Molecular FormulaC9H8Cl2N2O2
Molecular Weight247.08 g/mol
Exact Mass246.00
IUPAC Name4-amino-3,5-dichloro-6-cyclopropylpyridine-2-carboxylic acid
SMILESNc1c(Cl)c(C(=O)O)nc(C2CC2)c1Cl
InChIInChI=1S/C9H8Cl2N2O2/c10-4-6(12)5(11)8(9(14)15)13-7(4)3-1-2-3/h3H,1-2H2,(H2,12,13)(H,14,15)
InChIKeyILTLVVKUKQEONT-UHFFFAOYSA-N
XLogP2.55
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-6-cyclopropylpyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3,5-dichloro-6-cyclopropylpyridine-2-carboxylic acid (CID 67419984) is 4-amino-3,5-dichloro-6-cyclopropylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3,5-dichloro-6-cyclopropylpyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3,5-dichloro-6-cyclopropylpyridine-2-carboxylic acid is Nc1c(Cl)c(C(=O)O)nc(C2CC2)c1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-6-cyclopropylpyridine-2-carboxylic acid?
The InChIKey is ILTLVVKUKQEONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O2/c10-4-6(12)5(11)8(9(14)15)13-7(4)3-1-2-3/h3H,1-2H2,(H2,12,13)(H,14,15).
What are the key properties of 4-amino-3,5-dichloro-6-cyclopropylpyridine-2-carboxylic acid?
4-amino-3,5-dichloro-6-cyclopropylpyridine-2-carboxylic acid has a molecular weight of 247.08 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-6-cyclopropylpyridine-2-carboxylic acid is sourced from PubChem (CID 67419984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).