4-(bromomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

C14H14BrFN2O — CID 66705620

IUPAC4-(bromomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2cc(CBr)cc(F)n2)cc1
InChIInChI=1S/C14H14BrFN2O/c1-19-12-4-2-10(3-5-12)9-17-14-7-11(8-15)6-13(16)18-14/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyPROXMBRMSSNVOJ-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.74
Rot. Bonds5

About 4-(bromomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

4-(bromomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 66705620) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 4-(bromomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(bromomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID66705620
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name4-(bromomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2cc(CBr)cc(F)n2)cc1
InChIInChI=1S/C14H14BrFN2O/c1-19-12-4-2-10(3-5-12)9-17-14-7-11(8-15)6-13(16)18-14/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyPROXMBRMSSNVOJ-UHFFFAOYSA-N
XLogP3.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 4-(bromomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine (CID 66705620) is 4-(bromomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-(bromomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 4-(bromomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine is COc1ccc(CNc2cc(CBr)cc(F)n2)cc1.
What is the InChIKey of 4-(bromomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is PROXMBRMSSNVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-19-12-4-2-10(3-5-12)9-17-14-7-11(8-15)6-13(16)18-14/h2-7H,8-9H2,1H3,(H,17,18).
What are the key properties of 4-(bromomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
4-(bromomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 325.18 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 66705620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).