2-amino-4-chloro-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylic acid

C12H13ClF2N2O2 — CID 176851870

IUPAC2-amino-4-chloro-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylic acid
SMILESNc1nc(C2CCC(F)(F)CC2)cc(Cl)c1C(=O)O
InChIInChI=1S/C12H13ClF2N2O2/c13-7-5-8(17-10(16)9(7)11(18)19)6-1-3-12(14,15)4-2-6/h5-6H,1-4H2,(H2,16,17)(H,18,19)
InChIKeyLSQANVNIBYJLIQ-UHFFFAOYSA-N
MW290.70 g/mol
LogP3.31
Rot. Bonds2

About 2-amino-4-chloro-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylic acid

2-amino-4-chloro-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylic acid (PubChem CID 176851870) has the molecular formula C12H13ClF2N2O2 and a molecular weight of 290.70 g/mol. Its IUPAC name is 2-amino-4-chloro-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-chloro-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylic acid
PubChem CID176851870
Molecular FormulaC12H13ClF2N2O2
Molecular Weight290.70 g/mol
Exact Mass290.06
IUPAC Name2-amino-4-chloro-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylic acid
SMILESNc1nc(C2CCC(F)(F)CC2)cc(Cl)c1C(=O)O
InChIInChI=1S/C12H13ClF2N2O2/c13-7-5-8(17-10(16)9(7)11(18)19)6-1-3-12(14,15)4-2-6/h5-6H,1-4H2,(H2,16,17)(H,18,19)
InChIKeyLSQANVNIBYJLIQ-UHFFFAOYSA-N
XLogP3.31
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-4-chloro-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylic acid (CID 176851870) is 2-amino-4-chloro-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-chloro-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-4-chloro-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylic acid is Nc1nc(C2CCC(F)(F)CC2)cc(Cl)c1C(=O)O.
What is the InChIKey of 2-amino-4-chloro-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylic acid?
The InChIKey is LSQANVNIBYJLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N2O2/c13-7-5-8(17-10(16)9(7)11(18)19)6-1-3-12(14,15)4-2-6/h5-6H,1-4H2,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-4-chloro-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylic acid?
2-amino-4-chloro-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylic acid has a molecular weight of 290.70 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 176851870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).