5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid

C8H7ClF2N2O2 — CID 115407319

IUPAC5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NCC(F)F)c(Cl)c1
InChIInChI=1S/C8H7ClF2N2O2/c9-5-1-4(8(14)15)2-12-7(5)13-3-6(10)11/h1-2,6H,3H2,(H,12,13)(H,14,15)
InChIKeyUJXJCONDQOLLFR-UHFFFAOYSA-N
MW236.60 g/mol
LogP2.11
Rot. Bonds4

About 5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid

5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid (PubChem CID 115407319) has the molecular formula C8H7ClF2N2O2 and a molecular weight of 236.60 g/mol. Its IUPAC name is 5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
PubChem CID115407319
Molecular FormulaC8H7ClF2N2O2
Molecular Weight236.60 g/mol
Exact Mass236.02
IUPAC Name5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NCC(F)F)c(Cl)c1
InChIInChI=1S/C8H7ClF2N2O2/c9-5-1-4(8(14)15)2-12-7(5)13-3-6(10)11/h1-2,6H,3H2,(H,12,13)(H,14,15)
InChIKeyUJXJCONDQOLLFR-UHFFFAOYSA-N
XLogP2.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.60
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64597735
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5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid
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5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 114100477
5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid
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5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
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5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
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5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid
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5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid (CID 115407319) is 5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid is O=C(O)c1cnc(NCC(F)F)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid?
The InChIKey is UJXJCONDQOLLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O2/c9-5-1-4(8(14)15)2-12-7(5)13-3-6(10)11/h1-2,6H,3H2,(H,12,13)(H,14,15).
What are the key properties of 5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid?
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid has a molecular weight of 236.60 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 115407319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).