5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine

C6H8BrFN2O — CID 175887703

IUPAC5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine
SMILESCOC1=CC(Br)=CN(N)C1F
InChIInChI=1S/C6H8BrFN2O/c1-11-5-2-4(7)3-10(9)6(5)8/h2-3,6H,9H2,1H3
InChIKeyWGGDVXVRYMYTAO-UHFFFAOYSA-N
MW223.04 g/mol
LogP1.24
Rot. Bonds1

About 5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine

5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine (PubChem CID 175887703) has the molecular formula C6H8BrFN2O and a molecular weight of 223.04 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine
PubChem CID175887703
Molecular FormulaC6H8BrFN2O
Molecular Weight223.04 g/mol
Exact Mass221.98
IUPAC Name5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine
SMILESCOC1=CC(Br)=CN(N)C1F
InChIInChI=1S/C6H8BrFN2O/c1-11-5-2-4(7)3-10(9)6(5)8/h2-3,6H,9H2,1H3
InChIKeyWGGDVXVRYMYTAO-UHFFFAOYSA-N
XLogP1.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.04
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-fluoro-2H-pyridine-1,2-diamine
CID 170340688
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CID 74316003
6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole
CID 139324974
(1S,2R)-3-bromo-6-methoxycyclohexa-3,5-diene-1,2-diol
CID 134895716
2-methoxy-1-[2-(2-methoxy-1H-inden-1-yl)phenyl]-1H-indene
CID 151729793
(1R,3R)-1-(4-bromo-2-methoxycyclohexa-2,4-dien-1-yl)-2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine
CID 146518467
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
(4R,5R)-3,6-dimethoxy-1,4,5-tris(4-methoxyphenyl)-4,5-dihydroazepine
CID 132849157
2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline
CID 107626993
6-bromo-2-fluoro-3-methoxybenzenethiol
CID 171005747
2-bromo-N-fluoro-4-methoxyaniline
CID 174521230
6-bromo-3-fluoro-2-methoxybenzenethiol
CID 171005789

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine?
The IUPAC name of 5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine (CID 175887703) is 5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine.
What is the SMILES notation for 5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine?
The canonical SMILES for 5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine is COC1=CC(Br)=CN(N)C1F.
What is the InChIKey of 5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine?
The InChIKey is WGGDVXVRYMYTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrFN2O/c1-11-5-2-4(7)3-10(9)6(5)8/h2-3,6H,9H2,1H3.
What are the key properties of 5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine?
5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine has a molecular weight of 223.04 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine is sourced from PubChem (CID 175887703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).