[2-(1-bromonaphthalen-2-yl)oxy-3-fluoro-4-pyridinyl]methanamine

C16H12BrFN2O — CID 105391387

IUPAC[2-(1-bromonaphthalen-2-yl)oxy-3-fluoro-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2ccc3ccccc3c2Br)c1F
InChIInChI=1S/C16H12BrFN2O/c17-14-12-4-2-1-3-10(12)5-6-13(14)21-16-15(18)11(9-19)7-8-20-16/h1-8H,9,19H2
InChIKeyCEKUWTOIDDMPPC-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.39
Rot. Bonds3

About [2-(1-bromonaphthalen-2-yl)oxy-3-fluoro-4-pyridinyl]methanamine

[2-(1-bromonaphthalen-2-yl)oxy-3-fluoro-4-pyridinyl]methanamine (PubChem CID 105391387) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is [2-(1-bromonaphthalen-2-yl)oxy-3-fluoro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(1-bromonaphthalen-2-yl)oxy-3-fluoro-4-pyridinyl]methanamine
PubChem CID105391387
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name[2-(1-bromonaphthalen-2-yl)oxy-3-fluoro-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2ccc3ccccc3c2Br)c1F
InChIInChI=1S/C16H12BrFN2O/c17-14-12-4-2-1-3-10(12)5-6-13(14)21-16-15(18)11(9-19)7-8-20-16/h1-8H,9,19H2
InChIKeyCEKUWTOIDDMPPC-UHFFFAOYSA-N
XLogP4.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-bromonaphthalen-2-yl)oxy-3-fluoro-4-pyridinyl]methanamine?
The IUPAC name of [2-(1-bromonaphthalen-2-yl)oxy-3-fluoro-4-pyridinyl]methanamine (CID 105391387) is [2-(1-bromonaphthalen-2-yl)oxy-3-fluoro-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(1-bromonaphthalen-2-yl)oxy-3-fluoro-4-pyridinyl]methanamine?
The canonical SMILES for [2-(1-bromonaphthalen-2-yl)oxy-3-fluoro-4-pyridinyl]methanamine is NCc1ccnc(Oc2ccc3ccccc3c2Br)c1F.
What is the InChIKey of [2-(1-bromonaphthalen-2-yl)oxy-3-fluoro-4-pyridinyl]methanamine?
The InChIKey is CEKUWTOIDDMPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c17-14-12-4-2-1-3-10(12)5-6-13(14)21-16-15(18)11(9-19)7-8-20-16/h1-8H,9,19H2.
What are the key properties of [2-(1-bromonaphthalen-2-yl)oxy-3-fluoro-4-pyridinyl]methanamine?
[2-(1-bromonaphthalen-2-yl)oxy-3-fluoro-4-pyridinyl]methanamine has a molecular weight of 347.19 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-bromonaphthalen-2-yl)oxy-3-fluoro-4-pyridinyl]methanamine is sourced from PubChem (CID 105391387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).