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

C15H12Cl2F2N2O2 — CID 69177481

IUPAC4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid
SMILESCC(F)Cc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F
InChIInChI=1S/C15H12Cl2F2N2O2/c1-6(18)4-8-9(16)3-2-7(13(8)19)11-5-10(20)12(17)14(21-11)15(22)23/h2-3,5-6H,4H2,1H3,(H2,20,21)(H,22,23)
InChIKeyCMWQYGZIHVWPLD-UHFFFAOYSA-N
MW361.18 g/mol
LogP4.38
Rot. Bonds4

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

4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 69177481) 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-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid
PubChem CID69177481
Molecular FormulaC15H12Cl2F2N2O2
Molecular Weight361.18 g/mol
Exact Mass360.02
IUPAC Name4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid
SMILESCC(F)Cc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F
InChIInChI=1S/C15H12Cl2F2N2O2/c1-6(18)4-8-9(16)3-2-7(13(8)19)11-5-10(20)12(17)14(21-11)15(22)23/h2-3,5-6H,4H2,1H3,(H2,20,21)(H,22,23)
InChIKeyCMWQYGZIHVWPLD-UHFFFAOYSA-N
XLogP4.38
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid
CID 69130474
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 67420246
4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 68598483
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine
CID 66766863
4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid
CID 22677524
4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid
CID 22677438
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate
CID 68599293
1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone
CID 148662657
4-amino-3,5,6-trichloropyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
CID 76853151
4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid
CID 67420302
3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid
CID 142574457
4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 22677250

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid (CID 69177481) is 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid is CC(F)Cc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F.
What is the InChIKey of 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is CMWQYGZIHVWPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2N2O2/c1-6(18)4-8-9(16)3-2-7(13(8)19)11-5-10(20)12(17)14(21-11)15(22)23/h2-3,5-6H,4H2,1H3,(H2,20,21)(H,22,23).
What are the key properties of 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid?
4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 361.18 g/mol, XLogP of 4.38, 4 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-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 69177481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).