N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine

C10H8ClF3N2 — CID 114382946

IUPACN-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine
SMILESC#CC(C)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H8ClF3N2/c1-3-6(2)16-9-8(11)4-7(5-15-9)10(12,13)14/h1,4-6H,2H3,(H,15,16)
InChIKeyBKEKVWYABDQFMH-UHFFFAOYSA-N
MW248.64 g/mol
LogP3.19
Rot. Bonds2

About N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine

N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 114382946) has the molecular formula C10H8ClF3N2 and a molecular weight of 248.64 g/mol. Its IUPAC name is N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine
PubChem CID114382946
Molecular FormulaC10H8ClF3N2
Molecular Weight248.64 g/mol
Exact Mass248.03
IUPAC NameN-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine
SMILESC#CC(C)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H8ClF3N2/c1-3-6(2)16-9-8(11)4-7(5-15-9)10(12,13)14/h1,4-6H,2H3,(H,15,16)
InChIKeyBKEKVWYABDQFMH-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.64
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-ethylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63838693
3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63541959
5-bromo-N-but-3-yn-2-yl-3-chloropyridin-2-amine
CID 103582656
3-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43080874
3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 83180248
3-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 106354539
3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60712371
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 113240572
2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpentane-1,2-diamine
CID 63759985
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide
CID 94160420
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63541342

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine (CID 114382946) is N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine is C#CC(C)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BKEKVWYABDQFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N2/c1-3-6(2)16-9-8(11)4-7(5-15-9)10(12,13)14/h1,4-6H,2H3,(H,15,16).
What are the key properties of N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 248.64 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 114382946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).