[4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate

C12H6Cl3FN2O3 — CID 67420250

IUPAC[4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate
SMILESNc1c(F)c(-c2ccc(Cl)cc2Cl)nc(OC(=O)O)c1Cl
InChIInChI=1S/C12H6Cl3FN2O3/c13-4-1-2-5(6(14)3-4)10-8(16)9(17)7(15)11(18-10)21-12(19)20/h1-3H,(H2,17,18)(H,19,20)
InChIKeyNERBFSBCPHNOBV-UHFFFAOYSA-N
MW351.55 g/mol
LogP4.49
Rot. Bonds2

About [4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate

[4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate (PubChem CID 67420250) has the molecular formula C12H6Cl3FN2O3 and a molecular weight of 351.55 g/mol. Its IUPAC name is [4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate
PubChem CID67420250
Molecular FormulaC12H6Cl3FN2O3
Molecular Weight351.55 g/mol
Exact Mass349.94
IUPAC Name[4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate
SMILESNc1c(F)c(-c2ccc(Cl)cc2Cl)nc(OC(=O)O)c1Cl
InChIInChI=1S/C12H6Cl3FN2O3/c13-4-1-2-5(6(14)3-4)10-8(16)9(17)7(15)11(18-10)21-12(19)20/h1-3H,(H2,17,18)(H,19,20)
InChIKeyNERBFSBCPHNOBV-UHFFFAOYSA-N
XLogP4.49
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.55
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate
CID 67974691
[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
CID 67419415
4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 90440357
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroperoxyphenyl)-5-fluoropyridine-2-carboxylic acid
CID 154956016
[4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
CID 67419978
5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087184
[4-amino-3-chloro-6-(4-fluoro-1,3-benzodioxol-5-yl)-2-pyridinyl] hydrogen carbonate
CID 67417652
(3,6-dichloroquinolin-2-yl) hydrogen carbonate
CID 129078802
methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate
CID 22677382
2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133087191
2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid
CID 133091115
2-(2,4-dichlorophenyl)-3-fluoro-6-methylpyridine
CID 170837737

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate (CID 67420250) is [4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate is Nc1c(F)c(-c2ccc(Cl)cc2Cl)nc(OC(=O)O)c1Cl.
What is the InChIKey of [4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate?
The InChIKey is NERBFSBCPHNOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3FN2O3/c13-4-1-2-5(6(14)3-4)10-8(16)9(17)7(15)11(18-10)21-12(19)20/h1-3H,(H2,17,18)(H,19,20).
What are the key properties of [4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate?
[4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate has a molecular weight of 351.55 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 67420250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).