3-chloro-N-pent-4-yn-2-ylpyridin-2-amine

C10H11ClN2 — CID 115689385

IUPAC3-chloro-N-pent-4-yn-2-ylpyridin-2-amine
SMILESC#CCC(C)Nc1ncccc1Cl
InChIInChI=1S/C10H11ClN2/c1-3-5-8(2)13-10-9(11)6-4-7-12-10/h1,4,6-8H,5H2,2H3,(H,12,13)
InChIKeyIJANANHFBSNJGB-UHFFFAOYSA-N
MW194.67 g/mol
LogP2.56
Rot. Bonds3

About 3-chloro-N-pent-4-yn-2-ylpyridin-2-amine

3-chloro-N-pent-4-yn-2-ylpyridin-2-amine (PubChem CID 115689385) has the molecular formula C10H11ClN2 and a molecular weight of 194.67 g/mol. Its IUPAC name is 3-chloro-N-pent-4-yn-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-pent-4-yn-2-ylpyridin-2-amine
PubChem CID115689385
Molecular FormulaC10H11ClN2
Molecular Weight194.67 g/mol
Exact Mass194.06
IUPAC Name3-chloro-N-pent-4-yn-2-ylpyridin-2-amine
SMILESC#CCC(C)Nc1ncccc1Cl
InChIInChI=1S/C10H11ClN2/c1-3-5-8(2)13-10-9(11)6-4-7-12-10/h1,4,6-8H,5H2,2H3,(H,12,13)
InChIKeyIJANANHFBSNJGB-UHFFFAOYSA-N
XLogP2.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.67
LogP ≤ 52.56
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-(4-methylsulfonylbutan-2-yl)pyridin-2-amine
CID 133386738
N-pent-4-yn-2-ylpyrimidin-2-amine
CID 115658926
3-chloro-2-(pent-4-yn-2-ylamino)pyridine-4-carboxylic acid
CID 107063005
3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63838521
3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 115689298
5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine
CID 130535478
(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
CID 93033854
3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine
CID 60701697
3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106282806
(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine
CID 142991116
methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate
CID 43515165
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine
CID 60701648

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-pent-4-yn-2-ylpyridin-2-amine?
The IUPAC name of 3-chloro-N-pent-4-yn-2-ylpyridin-2-amine (CID 115689385) is 3-chloro-N-pent-4-yn-2-ylpyridin-2-amine.
What is the SMILES notation for 3-chloro-N-pent-4-yn-2-ylpyridin-2-amine?
The canonical SMILES for 3-chloro-N-pent-4-yn-2-ylpyridin-2-amine is C#CCC(C)Nc1ncccc1Cl.
What is the InChIKey of 3-chloro-N-pent-4-yn-2-ylpyridin-2-amine?
The InChIKey is IJANANHFBSNJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-3-5-8(2)13-10-9(11)6-4-7-12-10/h1,4,6-8H,5H2,2H3,(H,12,13).
What are the key properties of 3-chloro-N-pent-4-yn-2-ylpyridin-2-amine?
3-chloro-N-pent-4-yn-2-ylpyridin-2-amine has a molecular weight of 194.67 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-pent-4-yn-2-ylpyridin-2-amine is sourced from PubChem (CID 115689385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).