6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine

C8H11BrClN3 — CID 146592357

IUPAC6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine
SMILESCC(C)Nc1c(N)cc(Br)nc1Cl
InChIInChI=1S/C8H11BrClN3/c1-4(2)12-7-5(11)3-6(9)13-8(7)10/h3-4,12H,1-2H3,(H2,11,13)
InChIKeyXHZBGAWDIMXOKC-UHFFFAOYSA-N
MW264.55 g/mol
LogP2.90
Rot. Bonds2

About 6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine

6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine (PubChem CID 146592357) has the molecular formula C8H11BrClN3 and a molecular weight of 264.55 g/mol. Its IUPAC name is 6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine.

Molecular Properties

Compound Name6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine
PubChem CID146592357
Molecular FormulaC8H11BrClN3
Molecular Weight264.55 g/mol
Exact Mass262.98
IUPAC Name6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine
SMILESCC(C)Nc1c(N)cc(Br)nc1Cl
InChIInChI=1S/C8H11BrClN3/c1-4(2)12-7-5(11)3-6(9)13-8(7)10/h3-4,12H,1-2H3,(H2,11,13)
InChIKeyXHZBGAWDIMXOKC-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-propan-2-ylpyridin-3-amine;5-bromo-2-chloropyridin-3-amine
CID 87551023
6-bromo-2-propan-2-ylpyridine-3,4-diamine
CID 144632858
2,4,6-trichloro-N-propan-2-ylaniline
CID 28992463
3,5-dichloro-N-propan-2-ylpyridin-4-amine
CID 23352265
6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine
CID 57482779
6-bromo-2-chloro-4-(difluoromethyl)-3-iodopyridine
CID 130107870
6-bromo-4-chloro-2-(difluoromethyl)pyridin-3-amine
CID 130101605
6-bromo-2-N-pent-4-yn-2-ylpyrimidine-2,4-diamine
CID 116797399
3-chloro-2-N-propan-2-ylpyridine-2,5-diamine
CID 82468511
6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine
CID 176980789
6-methoxy-2-N-propan-2-ylpyridine-2,3-diamine
CID 115320271
2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one
CID 158738770

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine?
The IUPAC name of 6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine (CID 146592357) is 6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine.
What is the SMILES notation for 6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine?
The canonical SMILES for 6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine is CC(C)Nc1c(N)cc(Br)nc1Cl.
What is the InChIKey of 6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine?
The InChIKey is XHZBGAWDIMXOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrClN3/c1-4(2)12-7-5(11)3-6(9)13-8(7)10/h3-4,12H,1-2H3,(H2,11,13).
What are the key properties of 6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine?
6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine has a molecular weight of 264.55 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine is sourced from PubChem (CID 146592357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).