4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid

C15H12Cl2F2N2O2 — CID 69130474

IUPAC4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc(Cl)c(CCCF)c2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C15H12Cl2F2N2O2/c16-9-4-3-8(13(19)7(9)2-1-5-18)11-6-10(20)12(17)14(21-11)15(22)23/h3-4,6H,1-2,5H2,(H2,20,21)(H,22,23)
InChIKeyPZDQPINENOSNBD-UHFFFAOYSA-N
MW361.18 g/mol
LogP4.38
Rot. Bonds5

About 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid

4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 69130474) has the molecular formula C15H12Cl2F2N2O2 and a molecular weight of 361.18 g/mol. Its IUPAC name is 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid
PubChem CID69130474
Molecular FormulaC15H12Cl2F2N2O2
Molecular Weight361.18 g/mol
Exact Mass360.02
IUPAC Name4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc(Cl)c(CCCF)c2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C15H12Cl2F2N2O2/c16-9-4-3-8(13(19)7(9)2-1-5-18)11-6-10(20)12(17)14(21-11)15(22)23/h3-4,6H,1-2,5H2,(H2,20,21)(H,22,23)
InChIKeyPZDQPINENOSNBD-UHFFFAOYSA-N
XLogP4.38
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid (CID 69130474) is 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid is Nc1cc(-c2ccc(Cl)c(CCCF)c2F)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is PZDQPINENOSNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2N2O2/c16-9-4-3-8(13(19)7(9)2-1-5-18)11-6-10(20)12(17)14(21-11)15(22)23/h3-4,6H,1-2,5H2,(H2,20,21)(H,22,23).
What are the key properties of 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid?
4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 361.18 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 69130474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).