N-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine

C9H11BrClFN2 — CID 104555270

IUPACN-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine
SMILESCC(CBr)N(C)c1ncc(Cl)cc1F
InChIInChI=1S/C9H11BrClFN2/c1-6(4-10)14(2)9-8(12)3-7(11)5-13-9/h3,5-6H,4H2,1-2H3
InChIKeyKDGJCOCIGDPXKB-UHFFFAOYSA-N
MW281.56 g/mol
LogP3.09
Rot. Bonds3

About N-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine

N-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine (PubChem CID 104555270) has the molecular formula C9H11BrClFN2 and a molecular weight of 281.56 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine
PubChem CID104555270
Molecular FormulaC9H11BrClFN2
Molecular Weight281.56 g/mol
Exact Mass279.98
IUPAC NameN-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine
SMILESCC(CBr)N(C)c1ncc(Cl)cc1F
InChIInChI=1S/C9H11BrClFN2/c1-6(4-10)14(2)9-8(12)3-7(11)5-13-9/h3,5-6H,4H2,1-2H3
InChIKeyKDGJCOCIGDPXKB-UHFFFAOYSA-N
XLogP3.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.56
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine?
The IUPAC name of N-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine (CID 104555270) is N-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine.
What is the SMILES notation for N-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine?
The canonical SMILES for N-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine is CC(CBr)N(C)c1ncc(Cl)cc1F.
What is the InChIKey of N-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine?
The InChIKey is KDGJCOCIGDPXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClFN2/c1-6(4-10)14(2)9-8(12)3-7(11)5-13-9/h3,5-6H,4H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine?
N-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine has a molecular weight of 281.56 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 104555270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).