2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol

C15H13BrClFN2O2 — CID 156855609

IUPAC2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol
SMILESCC1(O)c2c(cc(F)c(Cl)c2Br)OC1(CN)c1ccccn1
InChIInChI=1S/C15H13BrClFN2O2/c1-14(21)11-9(6-8(18)13(17)12(11)16)22-15(14,7-19)10-4-2-3-5-20-10/h2-6,21H,7,19H2,1H3
InChIKeyPKHJAPMPGKRBMK-UHFFFAOYSA-N
MW387.64 g/mol
LogP3.09
Rot. Bonds2

About 2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol

2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol (PubChem CID 156855609) has the molecular formula C15H13BrClFN2O2 and a molecular weight of 387.64 g/mol. Its IUPAC name is 2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol
PubChem CID156855609
Molecular FormulaC15H13BrClFN2O2
Molecular Weight387.64 g/mol
Exact Mass385.98
IUPAC Name2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol
SMILESCC1(O)c2c(cc(F)c(Cl)c2Br)OC1(CN)c1ccccn1
InChIInChI=1S/C15H13BrClFN2O2/c1-14(21)11-9(6-8(18)13(17)12(11)16)22-15(14,7-19)10-4-2-3-5-20-10/h2-6,21H,7,19H2,1H3
InChIKeyPKHJAPMPGKRBMK-UHFFFAOYSA-N
XLogP3.09
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.64
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol with MolForge

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Launch Full Analysis

Related Compounds

azane;2-[(2R,3S)-4-bromo-5-chloro-6-fluoro-2,3-dimethyl-3H-1-benzofuran-2-yl]pyridine
CID 166749159
[(2R,3S)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-3H-1-benzofuran-2-yl]methylcarbamic acid
CID 166749047
(2S,3S)-2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-3-ol
CID 156856084
8-chloro-7-fluoro-3,3-dimethyl-5-pyridin-2-yl-2,4-dihydro-1-benzoxepin-5-ol
CID 19976137
5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol
CID 15734054
[1-(aminomethyl)-2-methyl-2-pyridin-2-ylcyclopropyl]methanol
CID 63042187
(4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine
CID 156855920
(2R,3S)-4-bromo-5-chloro-6-fluoro-3-(methoxymethoxy)-2-phenyl-3H-1-benzofuran-2-carboxylic acid
CID 156856415
(2R,3S)-5-chloro-2-ethyl-2-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1-benzofuran-3-ol
CID 157078869
3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol
CID 2831231
1-(aminomethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]cyclohexan-1-ol
CID 117039421
4-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-4-yl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 156855833

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol?
The IUPAC name of 2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol (CID 156855609) is 2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol.
What is the SMILES notation for 2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol?
The canonical SMILES for 2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol is CC1(O)c2c(cc(F)c(Cl)c2Br)OC1(CN)c1ccccn1.
What is the InChIKey of 2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol?
The InChIKey is PKHJAPMPGKRBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2O2/c1-14(21)11-9(6-8(18)13(17)12(11)16)22-15(14,7-19)10-4-2-3-5-20-10/h2-6,21H,7,19H2,1H3.
What are the key properties of 2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol?
2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol has a molecular weight of 387.64 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-bromo-5-chloro-6-fluoro-3-methyl-2-pyridin-2-yl-1-benzofuran-3-ol is sourced from PubChem (CID 156855609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).