4-fluoro-2-methyl-5-(1,8-naphthyridin-4-ylamino)phenol

C15H12FN3O — CID 174419950

IUPAC4-fluoro-2-methyl-5-(1,8-naphthyridin-4-ylamino)phenol
SMILESCc1cc(F)c(Nc2ccnc3ncccc23)cc1O
InChIInChI=1S/C15H12FN3O/c1-9-7-11(16)13(8-14(9)20)19-12-4-6-18-15-10(12)3-2-5-17-15/h2-8,20H,1H3,(H,17,18,19)
InChIKeyPNWGFSPRTMBFDU-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.53
Rot. Bonds2

About 4-fluoro-2-methyl-5-(1,8-naphthyridin-4-ylamino)phenol

4-fluoro-2-methyl-5-(1,8-naphthyridin-4-ylamino)phenol (PubChem CID 174419950) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-fluoro-2-methyl-5-(1,8-naphthyridin-4-ylamino)phenol.

Molecular Properties

Compound Name4-fluoro-2-methyl-5-(1,8-naphthyridin-4-ylamino)phenol
PubChem CID174419950
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name4-fluoro-2-methyl-5-(1,8-naphthyridin-4-ylamino)phenol
SMILESCc1cc(F)c(Nc2ccnc3ncccc23)cc1O
InChIInChI=1S/C15H12FN3O/c1-9-7-11(16)13(8-14(9)20)19-12-4-6-18-15-10(12)3-2-5-17-15/h2-8,20H,1H3,(H,17,18,19)
InChIKeyPNWGFSPRTMBFDU-UHFFFAOYSA-N
XLogP3.53
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-5-(1,8-naphthyridin-4-ylamino)phenol?
The IUPAC name of 4-fluoro-2-methyl-5-(1,8-naphthyridin-4-ylamino)phenol (CID 174419950) is 4-fluoro-2-methyl-5-(1,8-naphthyridin-4-ylamino)phenol.
What is the SMILES notation for 4-fluoro-2-methyl-5-(1,8-naphthyridin-4-ylamino)phenol?
The canonical SMILES for 4-fluoro-2-methyl-5-(1,8-naphthyridin-4-ylamino)phenol is Cc1cc(F)c(Nc2ccnc3ncccc23)cc1O.
What is the InChIKey of 4-fluoro-2-methyl-5-(1,8-naphthyridin-4-ylamino)phenol?
The InChIKey is PNWGFSPRTMBFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-7-11(16)13(8-14(9)20)19-12-4-6-18-15-10(12)3-2-5-17-15/h2-8,20H,1H3,(H,17,18,19).
What are the key properties of 4-fluoro-2-methyl-5-(1,8-naphthyridin-4-ylamino)phenol?
4-fluoro-2-methyl-5-(1,8-naphthyridin-4-ylamino)phenol has a molecular weight of 269.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-5-(1,8-naphthyridin-4-ylamino)phenol is sourced from PubChem (CID 174419950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).