3-chloro-5-(3-fluoro-4-pyridinyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine

C16H9ClF4N4 — CID 122508217

IUPAC3-chloro-5-(3-fluoro-4-pyridinyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
SMILESNc1nc(-c2cncc(C(F)(F)F)c2)c(-c2ccncc2F)cc1Cl
InChIInChI=1S/C16H9ClF4N4/c17-12-4-11(10-1-2-23-7-13(10)18)14(25-15(12)22)8-3-9(6-24-5-8)16(19,20)21/h1-7H,(H2,22,25)
InChIKeyCJNRNCYWLJETOB-UHFFFAOYSA-N
MW368.72 g/mol
LogP4.60
Rot. Bonds2

About 3-chloro-5-(3-fluoro-4-pyridinyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine

3-chloro-5-(3-fluoro-4-pyridinyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine (PubChem CID 122508217) has the molecular formula C16H9ClF4N4 and a molecular weight of 368.72 g/mol. Its IUPAC name is 3-chloro-5-(3-fluoro-4-pyridinyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(3-fluoro-4-pyridinyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
PubChem CID122508217
Molecular FormulaC16H9ClF4N4
Molecular Weight368.72 g/mol
Exact Mass368.05
IUPAC Name3-chloro-5-(3-fluoro-4-pyridinyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
SMILESNc1nc(-c2cncc(C(F)(F)F)c2)c(-c2ccncc2F)cc1Cl
InChIInChI=1S/C16H9ClF4N4/c17-12-4-11(10-1-2-23-7-13(10)18)14(25-15(12)22)8-3-9(6-24-5-8)16(19,20)21/h1-7H,(H2,22,25)
InChIKeyCJNRNCYWLJETOB-UHFFFAOYSA-N
XLogP4.60
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.72
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-fluoro-4-pyridinyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-(3-fluoro-4-pyridinyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine (CID 122508217) is 3-chloro-5-(3-fluoro-4-pyridinyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(3-fluoro-4-pyridinyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(3-fluoro-4-pyridinyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine is Nc1nc(-c2cncc(C(F)(F)F)c2)c(-c2ccncc2F)cc1Cl.
What is the InChIKey of 3-chloro-5-(3-fluoro-4-pyridinyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine?
The InChIKey is CJNRNCYWLJETOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF4N4/c17-12-4-11(10-1-2-23-7-13(10)18)14(25-15(12)22)8-3-9(6-24-5-8)16(19,20)21/h1-7H,(H2,22,25).
What are the key properties of 3-chloro-5-(3-fluoro-4-pyridinyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine?
3-chloro-5-(3-fluoro-4-pyridinyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine has a molecular weight of 368.72 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-fluoro-4-pyridinyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 122508217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).