N-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine

C20H18Cl2FN3 — CID 87503962

IUPACN-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine
SMILESCCCCNc1cc(-c2ccccn2)nc(Cl)c1-c1c(F)cccc1Cl
InChIInChI=1S/C20H18Cl2FN3/c1-2-3-10-25-17-12-16(15-9-4-5-11-24-15)26-20(22)19(17)18-13(21)7-6-8-14(18)23/h4-9,11-12H,2-3,10H2,1H3,(H,25,26)
InChIKeyYBWMOUKHAGUMOZ-UHFFFAOYSA-N
MW390.29 g/mol
LogP6.47
Rot. Bonds6

About N-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine

N-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine (PubChem CID 87503962) has the molecular formula C20H18Cl2FN3 and a molecular weight of 390.29 g/mol. Its IUPAC name is N-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine.

Molecular Properties

Compound NameN-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine
PubChem CID87503962
Molecular FormulaC20H18Cl2FN3
Molecular Weight390.29 g/mol
Exact Mass389.09
IUPAC NameN-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine
SMILESCCCCNc1cc(-c2ccccn2)nc(Cl)c1-c1c(F)cccc1Cl
InChIInChI=1S/C20H18Cl2FN3/c1-2-3-10-25-17-12-16(15-9-4-5-11-24-15)26-20(22)19(17)18-13(21)7-6-8-14(18)23/h4-9,11-12H,2-3,10H2,1H3,(H,25,26)
InChIKeyYBWMOUKHAGUMOZ-UHFFFAOYSA-N
XLogP6.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.29
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine
CID 68578856
2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine
CID 59007738
7-butyl-5-chloro-6-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 19361628
N-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 91938180
2-chloro-3-fluoro-6-pyridin-2-ylpyridine
CID 175788383
3-chloro-2-methyl-N-octylaniline
CID 43129192
2-(2,6-dibutyl-4-chlorophenyl)pyridine
CID 160991399
3-chloro-2-fluoro-N-octylaniline
CID 43129398
5-chloro-6-(2-chloro-6-fluorophenyl)-N-heptan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87732562
N-butylpyridin-2-amine
CID 14322668
6-chloro-N-pentylquinolin-8-amine
CID 43672340
1-N-butyl-3-fluorobenzene-1,2-diamine
CID 60783282

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine?
The IUPAC name of N-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine (CID 87503962) is N-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine.
What is the SMILES notation for N-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine?
The canonical SMILES for N-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine is CCCCNc1cc(-c2ccccn2)nc(Cl)c1-c1c(F)cccc1Cl.
What is the InChIKey of N-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine?
The InChIKey is YBWMOUKHAGUMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN3/c1-2-3-10-25-17-12-16(15-9-4-5-11-24-15)26-20(22)19(17)18-13(21)7-6-8-14(18)23/h4-9,11-12H,2-3,10H2,1H3,(H,25,26).
What are the key properties of N-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine?
N-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine has a molecular weight of 390.29 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine is sourced from PubChem (CID 87503962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).