4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid

C14H12ClF3N2O3 — CID 68953049

IUPAC4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid
SMILESCOc1ccccc1-c1cc(Cl)cc(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H11ClN2O.C2HF3O2/c1-16-11-5-3-2-4-9(11)10-6-8(13)7-12(14)15-10;3-2(4,5)1(6)7/h2-7H,1H3,(H2,14,15);(H,6,7)
InChIKeyMHQZYFBGHWNAOY-UHFFFAOYSA-N
MW348.71 g/mol
LogP3.63
Rot. Bonds2

About 4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid

4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 68953049) has the molecular formula C14H12ClF3N2O3 and a molecular weight of 348.71 g/mol. Its IUPAC name is 4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID68953049
Molecular FormulaC14H12ClF3N2O3
Molecular Weight348.71 g/mol
Exact Mass348.05
IUPAC Name4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid
SMILESCOc1ccccc1-c1cc(Cl)cc(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H11ClN2O.C2HF3O2/c1-16-11-5-3-2-4-9(11)10-6-8(13)7-12(14)15-10;3-2(4,5)1(6)7/h2-7H,1H3,(H2,14,15);(H,6,7)
InChIKeyMHQZYFBGHWNAOY-UHFFFAOYSA-N
XLogP3.63
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-6-(2-methoxyphenyl)pyridine-2-carboxylate
CID 12784965
tert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid
CID 68955432
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
tert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate
CID 91422151
3-chloro-5-(2-methoxyphenyl)benzoic acid
CID 53225406
5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid
CID 121231725
2-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 69456154
anisole;2,2,2-trifluoroacetic acid
CID 66633105
3-amino-4-(2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082687
6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 67546414
6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 10923717
3-amino-6-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 10377153

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid (CID 68953049) is 4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid is COc1ccccc1-c1cc(Cl)cc(N)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is MHQZYFBGHWNAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O.C2HF3O2/c1-16-11-5-3-2-4-9(11)10-6-8(13)7-12(14)15-10;3-2(4,5)1(6)7/h2-7H,1H3,(H2,14,15);(H,6,7).
What are the key properties of 4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid?
4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 348.71 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68953049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).