6-butoxy-4-chloropyridin-2-amine

C9H13ClN2O — CID 58278129

IUPAC6-butoxy-4-chloropyridin-2-amine
SMILESCCCCOc1cc(Cl)cc(N)n1
InChIInChI=1S/C9H13ClN2O/c1-2-3-4-13-9-6-7(10)5-8(11)12-9/h5-6H,2-4H2,1H3,(H2,11,12)
InChIKeySEYWNGASDVFEEC-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.50
Rot. Bonds4

About 6-butoxy-4-chloropyridin-2-amine

6-butoxy-4-chloropyridin-2-amine (PubChem CID 58278129) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 6-butoxy-4-chloropyridin-2-amine.

Molecular Properties

Compound Name6-butoxy-4-chloropyridin-2-amine
PubChem CID58278129
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name6-butoxy-4-chloropyridin-2-amine
SMILESCCCCOc1cc(Cl)cc(N)n1
InChIInChI=1S/C9H13ClN2O/c1-2-3-4-13-9-6-7(10)5-8(11)12-9/h5-6H,2-4H2,1H3,(H2,11,12)
InChIKeySEYWNGASDVFEEC-UHFFFAOYSA-N
XLogP2.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;butan-1-olate;6-butoxy-4-chloropyridin-2-amine;4,6-dichloropyridin-2-amine
CID 162242314
4-butoxy-6-(chloromethyl)pyrimidin-2-amine
CID 54521493
4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine
CID 80740016
6-hexoxy-4-(trifluoromethyl)pyridin-2-amine
CID 102719653
6-hexoxy-2-propylpyrimidin-4-amine
CID 80949907
6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine
CID 113401616
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
4-heptoxy-6-hydrazinylpyrimidin-2-amine
CID 80909546
2-butoxy-6-chloropyridine-4-carbonyl chloride
CID 21275763
6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457803
4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566154
4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine
CID 143533273

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-4-chloropyridin-2-amine?
The IUPAC name of 6-butoxy-4-chloropyridin-2-amine (CID 58278129) is 6-butoxy-4-chloropyridin-2-amine.
What is the SMILES notation for 6-butoxy-4-chloropyridin-2-amine?
The canonical SMILES for 6-butoxy-4-chloropyridin-2-amine is CCCCOc1cc(Cl)cc(N)n1.
What is the InChIKey of 6-butoxy-4-chloropyridin-2-amine?
The InChIKey is SEYWNGASDVFEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-2-3-4-13-9-6-7(10)5-8(11)12-9/h5-6H,2-4H2,1H3,(H2,11,12).
What are the key properties of 6-butoxy-4-chloropyridin-2-amine?
6-butoxy-4-chloropyridin-2-amine has a molecular weight of 200.67 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-4-chloropyridin-2-amine is sourced from PubChem (CID 58278129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).