6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine

C10H11FN2 — CID 103705067

IUPAC6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine
SMILESC#CCC(C)Nc1cccc(F)n1
InChIInChI=1S/C10H11FN2/c1-3-5-8(2)12-10-7-4-6-9(11)13-10/h1,4,6-8H,5H2,2H3,(H,12,13)
InChIKeyLVYDCBLJZRSMAS-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.04
Rot. Bonds3

About 6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine

6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine (PubChem CID 103705067) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine
PubChem CID103705067
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine
SMILESC#CCC(C)Nc1cccc(F)n1
InChIInChI=1S/C10H11FN2/c1-3-5-8(2)12-10-7-4-6-9(11)13-10/h1,4,6-8H,5H2,2H3,(H,12,13)
InChIKeyLVYDCBLJZRSMAS-UHFFFAOYSA-N
XLogP2.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(pent-4-yn-2-ylamino)pyridine-2-carbonitrile
CID 115658850
6-fluoro-N-heptan-2-ylpyridin-2-amine
CID 61466659
6-fluoro-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 62735334
6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide
CID 115869130
4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol
CID 116812806
6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 61397753
N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine
CID 64597219
6-fluoro-N-[1-(2-methoxyphenyl)propan-2-yl]pyridin-2-amine
CID 115591110
N-(3,3-difluoropropyl)-6-fluoropyridin-2-amine
CID 130610509
6-chloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 106195659
N-pent-4-yn-2-ylpyrimidin-2-amine
CID 115658926
N-(2-ethylbutyl)-6-fluoropyridin-2-amine
CID 75355438

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine?
The IUPAC name of 6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine (CID 103705067) is 6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine?
The canonical SMILES for 6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine is C#CCC(C)Nc1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine?
The InChIKey is LVYDCBLJZRSMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-3-5-8(2)12-10-7-4-6-9(11)13-10/h1,4,6-8H,5H2,2H3,(H,12,13).
What are the key properties of 6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine?
6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine has a molecular weight of 178.21 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine is sourced from PubChem (CID 103705067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).