5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine

C10H11BrFN5 — CID 104924731

IUPAC5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
SMILESCn1cnc(CCNc2ncc(Br)cc2F)n1
InChIInChI=1S/C10H11BrFN5/c1-17-6-15-9(16-17)2-3-13-10-8(12)4-7(11)5-14-10/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyBRRAZSJGMOTQIF-UHFFFAOYSA-N
MW300.14 g/mol
LogP1.77
Rot. Bonds4

About 5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine

5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine (PubChem CID 104924731) has the molecular formula C10H11BrFN5 and a molecular weight of 300.14 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
PubChem CID104924731
Molecular FormulaC10H11BrFN5
Molecular Weight300.14 g/mol
Exact Mass299.02
IUPAC Name5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
SMILESCn1cnc(CCNc2ncc(Br)cc2F)n1
InChIInChI=1S/C10H11BrFN5/c1-17-6-15-9(16-17)2-3-13-10-8(12)4-7(11)5-14-10/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyBRRAZSJGMOTQIF-UHFFFAOYSA-N
XLogP1.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 80685572
N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 104923678
5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 104923732
5-bromo-3-fluoro-N-(2-imidazol-1-ylethyl)pyridin-2-amine
CID 104923734
5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 104924312
5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 104924719
5-bromo-3-fluoro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 104918929
5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine
CID 146237825
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine
CID 104925005
5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
CID 104923688
5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 104924181
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine
CID 106039969

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine (CID 104924731) is 5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine is Cn1cnc(CCNc2ncc(Br)cc2F)n1.
What is the InChIKey of 5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The InChIKey is BRRAZSJGMOTQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN5/c1-17-6-15-9(16-17)2-3-13-10-8(12)4-7(11)5-14-10/h4-6H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine has a molecular weight of 300.14 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 104924731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).