5-chloro-8-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine

C15H9ClF3N3 — CID 169259644

IUPAC5-chloro-8-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine
SMILESCc1nc(-c2cnc(Cl)c3cccnc23)ccc1C(F)(F)F
InChIInChI=1S/C15H9ClF3N3/c1-8-11(15(17,18)19)4-5-12(22-8)10-7-21-14(16)9-3-2-6-20-13(9)10/h2-7H,1H3
InChIKeyIEBLNKOROGUUIP-UHFFFAOYSA-N
MW323.71 g/mol
LogP4.67
Rot. Bonds1

About 5-chloro-8-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine

5-chloro-8-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine (PubChem CID 169259644) has the molecular formula C15H9ClF3N3 and a molecular weight of 323.71 g/mol. Its IUPAC name is 5-chloro-8-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine.

Molecular Properties

Compound Name5-chloro-8-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine
PubChem CID169259644
Molecular FormulaC15H9ClF3N3
Molecular Weight323.71 g/mol
Exact Mass323.04
IUPAC Name5-chloro-8-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine
SMILESCc1nc(-c2cnc(Cl)c3cccnc23)ccc1C(F)(F)F
InChIInChI=1S/C15H9ClF3N3/c1-8-11(15(17,18)19)4-5-12(22-8)10-7-21-14(16)9-3-2-6-20-13(9)10/h2-7H,1H3
InChIKeyIEBLNKOROGUUIP-UHFFFAOYSA-N
XLogP4.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine?
The IUPAC name of 5-chloro-8-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine (CID 169259644) is 5-chloro-8-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine.
What is the SMILES notation for 5-chloro-8-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine?
The canonical SMILES for 5-chloro-8-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine is Cc1nc(-c2cnc(Cl)c3cccnc23)ccc1C(F)(F)F.
What is the InChIKey of 5-chloro-8-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine?
The InChIKey is IEBLNKOROGUUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3/c1-8-11(15(17,18)19)4-5-12(22-8)10-7-21-14(16)9-3-2-6-20-13(9)10/h2-7H,1H3.
What are the key properties of 5-chloro-8-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine?
5-chloro-8-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine has a molecular weight of 323.71 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine is sourced from PubChem (CID 169259644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).