2-chloro-N-pent-3-ynylpyridin-4-amine

C10H11ClN2 — CID 106196309

IUPAC2-chloro-N-pent-3-ynylpyridin-4-amine
SMILESCC#CCCNc1ccnc(Cl)c1
InChIInChI=1S/C10H11ClN2/c1-2-3-4-6-12-9-5-7-13-10(11)8-9/h5,7-8H,4,6H2,1H3,(H,12,13)
InChIKeyXXZLYLXBILUUCL-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.56
Rot. Bonds3

About 2-chloro-N-pent-3-ynylpyridin-4-amine

2-chloro-N-pent-3-ynylpyridin-4-amine (PubChem CID 106196309) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-chloro-N-pent-3-ynylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-pent-3-ynylpyridin-4-amine
PubChem CID106196309
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name2-chloro-N-pent-3-ynylpyridin-4-amine
SMILESCC#CCCNc1ccnc(Cl)c1
InChIInChI=1S/C10H11ClN2/c1-2-3-4-6-12-9-5-7-13-10(11)8-9/h5,7-8H,4,6H2,1H3,(H,12,13)
InChIKeyXXZLYLXBILUUCL-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 ≤ 500194.66
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
2-chloro-N-pent-3-ynylpyridine-4-carboxamide
CID 115977384
N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 83813273
N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 103756417
6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol
CID 103918247
3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide
CID 103911721
3-[(2-chloro-4-pyridinyl)amino]propanamide
CID 102824025
2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine
CID 103757069
1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol
CID 131008554
2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine
CID 102824301
2-chloro-N-(3-propoxypropyl)pyridin-4-amine
CID 102824346
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695901

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pent-3-ynylpyridin-4-amine?
The IUPAC name of 2-chloro-N-pent-3-ynylpyridin-4-amine (CID 106196309) is 2-chloro-N-pent-3-ynylpyridin-4-amine.
What is the SMILES notation for 2-chloro-N-pent-3-ynylpyridin-4-amine?
The canonical SMILES for 2-chloro-N-pent-3-ynylpyridin-4-amine is CC#CCCNc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-pent-3-ynylpyridin-4-amine?
The InChIKey is XXZLYLXBILUUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-2-3-4-6-12-9-5-7-13-10(11)8-9/h5,7-8H,4,6H2,1H3,(H,12,13).
What are the key properties of 2-chloro-N-pent-3-ynylpyridin-4-amine?
2-chloro-N-pent-3-ynylpyridin-4-amine has a molecular weight of 194.66 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 2-chloro-N-pent-3-ynylpyridin-4-amine is sourced from PubChem (CID 106196309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).