4-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-(1,2,4-triazol-1-yl)pyridin-2-amine

C16H14Cl2FN5 — CID 59007748

IUPAC4-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-(1,2,4-triazol-1-yl)pyridin-2-amine
SMILESCC(C)Nc1nc(-n2cncn2)cc(Cl)c1-c1c(F)cccc1Cl
InChIInChI=1S/C16H14Cl2FN5/c1-9(2)22-16-15(14-10(17)4-3-5-12(14)19)11(18)6-13(23-16)24-8-20-7-21-24/h3-9H,1-2H3,(H,22,23)
InChIKeyBBNDQBLLXDCDEH-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.60
Rot. Bonds4

About 4-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-(1,2,4-triazol-1-yl)pyridin-2-amine

4-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-(1,2,4-triazol-1-yl)pyridin-2-amine (PubChem CID 59007748) has the molecular formula C16H14Cl2FN5 and a molecular weight of 366.23 g/mol. Its IUPAC name is 4-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-(1,2,4-triazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-(1,2,4-triazol-1-yl)pyridin-2-amine
PubChem CID59007748
Molecular FormulaC16H14Cl2FN5
Molecular Weight366.23 g/mol
Exact Mass365.06
IUPAC Name4-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-(1,2,4-triazol-1-yl)pyridin-2-amine
SMILESCC(C)Nc1nc(-n2cncn2)cc(Cl)c1-c1c(F)cccc1Cl
InChIInChI=1S/C16H14Cl2FN5/c1-9(2)22-16-15(14-10(17)4-3-5-12(14)19)11(18)6-13(23-16)24-8-20-7-21-24/h3-9H,1-2H3,(H,22,23)
InChIKeyBBNDQBLLXDCDEH-UHFFFAOYSA-N
XLogP4.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-(1,2,4-triazol-1-yl)pyridin-2-amine?
The IUPAC name of 4-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-(1,2,4-triazol-1-yl)pyridin-2-amine (CID 59007748) is 4-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-(1,2,4-triazol-1-yl)pyridin-2-amine.
What is the SMILES notation for 4-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-(1,2,4-triazol-1-yl)pyridin-2-amine?
The canonical SMILES for 4-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-(1,2,4-triazol-1-yl)pyridin-2-amine is CC(C)Nc1nc(-n2cncn2)cc(Cl)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-(1,2,4-triazol-1-yl)pyridin-2-amine?
The InChIKey is BBNDQBLLXDCDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN5/c1-9(2)22-16-15(14-10(17)4-3-5-12(14)19)11(18)6-13(23-16)24-8-20-7-21-24/h3-9H,1-2H3,(H,22,23).
What are the key properties of 4-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-(1,2,4-triazol-1-yl)pyridin-2-amine?
4-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-(1,2,4-triazol-1-yl)pyridin-2-amine has a molecular weight of 366.23 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-(1,2,4-triazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 59007748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).