3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine

C10H14BrClN2 — CID 104779520

IUPAC3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine
SMILESCC(Cl)CC(C)Nc1ccncc1Br
InChIInChI=1S/C10H14BrClN2/c1-7(12)5-8(2)14-10-3-4-13-6-9(10)11/h3-4,6-8H,5H2,1-2H3,(H,13,14)
InChIKeyPNDSNTNSDYUTRZ-UHFFFAOYSA-N
MW277.59 g/mol
LogP3.66
Rot. Bonds4

About 3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine

3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine (PubChem CID 104779520) has the molecular formula C10H14BrClN2 and a molecular weight of 277.59 g/mol. Its IUPAC name is 3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine
PubChem CID104779520
Molecular FormulaC10H14BrClN2
Molecular Weight277.59 g/mol
Exact Mass276.00
IUPAC Name3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine
SMILESCC(Cl)CC(C)Nc1ccncc1Br
InChIInChI=1S/C10H14BrClN2/c1-7(12)5-8(2)14-10-3-4-13-6-9(10)11/h3-4,6-8H,5H2,1-2H3,(H,13,14)
InChIKeyPNDSNTNSDYUTRZ-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
CID 104777212
3-bromo-N-heptan-2-ylpyridin-4-amine
CID 104776911
3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine
CID 104776798
3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine
CID 104776934
1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159318
3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine
CID 104777077
3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine
CID 106154086
3-bromo-N-(2-chloro-1-phenylethyl)pyridin-4-amine
CID 104779436
2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide
CID 106345936
3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine
CID 104776944
3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol
CID 104777110
2-[(3-chloro-4-pyridinyl)amino]propan-1-ol
CID 79838859

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine (CID 104779520) is 3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine is CC(Cl)CC(C)Nc1ccncc1Br.
What is the InChIKey of 3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine?
The InChIKey is PNDSNTNSDYUTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2/c1-7(12)5-8(2)14-10-3-4-13-6-9(10)11/h3-4,6-8H,5H2,1-2H3,(H,13,14).
What are the key properties of 3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine?
3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine has a molecular weight of 277.59 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine is sourced from PubChem (CID 104779520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).