2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol

C14H12ClFN2O — CID 138378543

IUPAC2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol
SMILESOc1cc(F)c(-c2cnc3c(c2)CNCC3)cc1Cl
InChIInChI=1S/C14H12ClFN2O/c15-11-4-10(12(16)5-14(11)19)8-3-9-6-17-2-1-13(9)18-7-8/h3-5,7,17,19H,1-2,6H2
InChIKeyBREDNFXMYZGBTM-UHFFFAOYSA-N
MW278.71 g/mol
LogP2.89
Rot. Bonds1

About 2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol

2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol (PubChem CID 138378543) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol
PubChem CID138378543
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol
SMILESOc1cc(F)c(-c2cnc3c(c2)CNCC3)cc1Cl
InChIInChI=1S/C14H12ClFN2O/c15-11-4-10(12(16)5-14(11)19)8-3-9-6-17-2-1-13(9)18-7-8/h3-5,7,17,19H,1-2,6H2
InChIKeyBREDNFXMYZGBTM-UHFFFAOYSA-N
XLogP2.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol?
The IUPAC name of 2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol (CID 138378543) is 2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol.
What is the SMILES notation for 2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol?
The canonical SMILES for 2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol is Oc1cc(F)c(-c2cnc3c(c2)CNCC3)cc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol?
The InChIKey is BREDNFXMYZGBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-11-4-10(12(16)5-14(11)19)8-3-9-6-17-2-1-13(9)18-7-8/h3-5,7,17,19H,1-2,6H2.
What are the key properties of 2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol?
2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol has a molecular weight of 278.71 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol is sourced from PubChem (CID 138378543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).