6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine

C9H11ClF3N3 — CID 115515354

IUPAC6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NCCCC(F)(F)F
InChIInChI=1S/C9H11ClF3N3/c10-7-3-2-6(14)8(16-7)15-5-1-4-9(11,12)13/h2-3H,1,4-5,14H2,(H,15,16)
InChIKeyYGGWSNGNORRVOK-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.07
Rot. Bonds4

About 6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine

6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine (PubChem CID 115515354) has the molecular formula C9H11ClF3N3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
PubChem CID115515354
Molecular FormulaC9H11ClF3N3
Molecular Weight253.65 g/mol
Exact Mass253.06
IUPAC Name6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NCCCC(F)(F)F
InChIInChI=1S/C9H11ClF3N3/c10-7-3-2-6(14)8(16-7)15-5-1-4-9(11,12)13/h2-3H,1,4-5,14H2,(H,15,16)
InChIKeyYGGWSNGNORRVOK-UHFFFAOYSA-N
XLogP3.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol
CID 115473663
6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine
CID 115515515
6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine
CID 115474192
6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 24903980
6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 81132933
6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine
CID 114097569
6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine
CID 115520523
6-chloro-4-N-(4,4,4-trifluorobutyl)pyrimidine-2,4-diamine
CID 79040692
6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 115320787
6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine
CID 24903988
1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol
CID 106290230
6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine
CID 115474252

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine (CID 115515354) is 6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine is Nc1ccc(Cl)nc1NCCCC(F)(F)F.
What is the InChIKey of 6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine?
The InChIKey is YGGWSNGNORRVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3/c10-7-3-2-6(14)8(16-7)15-5-1-4-9(11,12)13/h2-3H,1,4-5,14H2,(H,15,16).
What are the key properties of 6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine?
6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine has a molecular weight of 253.65 g/mol, XLogP of 3.07, 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-(4,4,4-trifluorobutyl)pyridine-2,3-diamine is sourced from PubChem (CID 115515354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).