6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine

C10H16ClN3 — CID 115474096

IUPAC6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine
SMILESCCC(C)CNc1nc(Cl)ccc1N
InChIInChI=1S/C10H16ClN3/c1-3-7(2)6-13-10-8(12)4-5-9(11)14-10/h4-5,7H,3,6,12H2,1-2H3,(H,13,14)
InChIKeyDEZQGFLTJGFJRP-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.78
Rot. Bonds4

About 6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine

6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine (PubChem CID 115474096) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine
PubChem CID115474096
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine
SMILESCCC(C)CNc1nc(Cl)ccc1N
InChIInChI=1S/C10H16ClN3/c1-3-7(2)6-13-10-8(12)4-5-9(11)14-10/h4-5,7H,3,6,12H2,1-2H3,(H,13,14)
InChIKeyDEZQGFLTJGFJRP-UHFFFAOYSA-N
XLogP2.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.78
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

6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591315
6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine
CID 115474027
6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 24903980
6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine
CID 115474192
6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine
CID 115474112
1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol
CID 106290230
3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol
CID 115473663
6-chloro-2-N-(1-cyclopropylbutan-2-yl)pyridine-2,3-diamine
CID 115474196
3-N-(2-methylbutyl)pyrazine-2,3-diamine
CID 102984244
6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143853
6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115474071
2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine
CID 137483617

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine (CID 115474096) is 6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine is CCC(C)CNc1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine?
The InChIKey is DEZQGFLTJGFJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-3-7(2)6-13-10-8(12)4-5-9(11)14-10/h4-5,7H,3,6,12H2,1-2H3,(H,13,14).
What are the key properties of 6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine?
6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine has a molecular weight of 213.71 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine is sourced from PubChem (CID 115474096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).