[4-amino-3-chloro-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-2-pyridinyl]methyl formate

C15H14Cl2FN3O2 — CID 174612500

IUPAC[4-amino-3-chloro-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-2-pyridinyl]methyl formate
SMILESCN(C)c1c(Cl)ccc(-c2cc(N)c(Cl)c(COC=O)n2)c1F
InChIInChI=1S/C15H14Cl2FN3O2/c1-21(2)15-9(16)4-3-8(14(15)18)11-5-10(19)13(17)12(20-11)6-23-7-22/h3-5,7H,6H2,1-2H3,(H2,19,20)
InChIKeyODUGTXMRRGPNJK-UHFFFAOYSA-N
MW358.20 g/mol
LogP3.52
Rot. Bonds5

About [4-amino-3-chloro-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-2-pyridinyl]methyl formate

[4-amino-3-chloro-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-2-pyridinyl]methyl formate (PubChem CID 174612500) has the molecular formula C15H14Cl2FN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is [4-amino-3-chloro-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-2-pyridinyl]methyl formate.

Molecular Properties

Compound Name[4-amino-3-chloro-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-2-pyridinyl]methyl formate
PubChem CID174612500
Molecular FormulaC15H14Cl2FN3O2
Molecular Weight358.20 g/mol
Exact Mass357.04
IUPAC Name[4-amino-3-chloro-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-2-pyridinyl]methyl formate
SMILESCN(C)c1c(Cl)ccc(-c2cc(N)c(Cl)c(COC=O)n2)c1F
InChIInChI=1S/C15H14Cl2FN3O2/c1-21(2)15-9(16)4-3-8(14(15)18)11-5-10(19)13(17)12(20-11)6-23-7-22/h3-5,7H,6H2,1-2H3,(H2,19,20)
InChIKeyODUGTXMRRGPNJK-UHFFFAOYSA-N
XLogP3.52
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 67420246
methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-formylphenyl)pyridine-2-carboxylate
CID 129168945
4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid
CID 69177481
3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine
CID 135291908
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-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
CID 67419415
4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 68598483
2-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5,6-bis(ethenyl)pyrimidin-4-amine
CID 91109634
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate
CID 68598377
[4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate
CID 68648426
1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-fluoroprop-2-enoxy)ethanone
CID 158247389

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-chloro-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-2-pyridinyl]methyl formate?
The IUPAC name of [4-amino-3-chloro-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-2-pyridinyl]methyl formate (CID 174612500) is [4-amino-3-chloro-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-2-pyridinyl]methyl formate.
What is the SMILES notation for [4-amino-3-chloro-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-2-pyridinyl]methyl formate?
The canonical SMILES for [4-amino-3-chloro-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-2-pyridinyl]methyl formate is CN(C)c1c(Cl)ccc(-c2cc(N)c(Cl)c(COC=O)n2)c1F.
What is the InChIKey of [4-amino-3-chloro-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-2-pyridinyl]methyl formate?
The InChIKey is ODUGTXMRRGPNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN3O2/c1-21(2)15-9(16)4-3-8(14(15)18)11-5-10(19)13(17)12(20-11)6-23-7-22/h3-5,7H,6H2,1-2H3,(H2,19,20).
What are the key properties of [4-amino-3-chloro-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-2-pyridinyl]methyl formate?
[4-amino-3-chloro-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-2-pyridinyl]methyl formate has a molecular weight of 358.20 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-chloro-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-2-pyridinyl]methyl formate is sourced from PubChem (CID 174612500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).