1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine

C10H11ClN2 — CID 103443984

IUPAC1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine
SMILESCC#CCC(N)c1ncccc1Cl
InChIInChI=1S/C10H11ClN2/c1-2-3-6-9(12)10-8(11)5-4-7-13-10/h4-5,7,9H,6,12H2,1H3
InChIKeyDBACBPUIYPOKDA-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.15
Rot. Bonds2

About 1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine

1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine (PubChem CID 103443984) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine
PubChem CID103443984
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine
SMILESCC#CCC(N)c1ncccc1Cl
InChIInChI=1S/C10H11ClN2/c1-2-3-6-9(12)10-8(11)5-4-7-13-10/h4-5,7,9H,6,12H2,1H3
InChIKeyDBACBPUIYPOKDA-UHFFFAOYSA-N
XLogP2.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.15
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

1-(3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 55293817
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
1-(3-chloro-2-pyridinyl)tridecan-1-amine
CID 103443784
1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 103443973
1-(3-chloro-2-pyridinyl)prop-2-yn-1-amine
CID 103443721
1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine
CID 103443833
1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine
CID 103443990
3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine
CID 103443859
1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine
CID 103852479
1-pyridin-4-ylpent-3-yn-1-amine
CID 62311977
3-amino-1-(3-chloro-2-pyridinyl)propane-1,2-diol
CID 170827536
4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900436

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine (CID 103443984) is 1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine is CC#CCC(N)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine?
The InChIKey is DBACBPUIYPOKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-2-3-6-9(12)10-8(11)5-4-7-13-10/h4-5,7,9H,6,12H2,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine?
1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine has a molecular weight of 194.66 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine is sourced from PubChem (CID 103443984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).