2-chloro-N-pent-1-yn-3-ylpyridin-4-amine

C10H11ClN2 — CID 106232773

IUPAC2-chloro-N-pent-1-yn-3-ylpyridin-4-amine
SMILESC#CC(CC)Nc1ccnc(Cl)c1
InChIInChI=1S/C10H11ClN2/c1-3-8(4-2)13-9-5-6-12-10(11)7-9/h1,5-8H,4H2,2H3,(H,12,13)
InChIKeyYGYWMUQAIPFBLA-UHFFFAOYSA-N
MW194.67 g/mol
LogP2.56
Rot. Bonds3

About 2-chloro-N-pent-1-yn-3-ylpyridin-4-amine

2-chloro-N-pent-1-yn-3-ylpyridin-4-amine (PubChem CID 106232773) has the molecular formula C10H11ClN2 and a molecular weight of 194.67 g/mol. Its IUPAC name is 2-chloro-N-pent-1-yn-3-ylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-pent-1-yn-3-ylpyridin-4-amine
PubChem CID106232773
Molecular FormulaC10H11ClN2
Molecular Weight194.67 g/mol
Exact Mass194.06
IUPAC Name2-chloro-N-pent-1-yn-3-ylpyridin-4-amine
SMILESC#CC(CC)Nc1ccnc(Cl)c1
InChIInChI=1S/C10H11ClN2/c1-3-8(4-2)13-9-5-6-12-10(11)7-9/h1,5-8H,4H2,2H3,(H,12,13)
InChIKeyYGYWMUQAIPFBLA-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile
CID 106230805
2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 103912505
N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide
CID 106231329
3-[(2-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
CID 130778820
2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 115486493
2-N-pent-1-yn-3-ylpyridine-2,4-diamine
CID 106233105
N-pent-1-yn-3-ylaniline
CID 91154243
6-chloro-N-pent-1-yn-3-ylpyridin-2-amine
CID 106232727
ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate
CID 102824081
2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine
CID 103269905
3-chloro-N-pent-1-yn-3-ylpyridin-4-amine
CID 106231343
2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide
CID 102824371

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pent-1-yn-3-ylpyridin-4-amine?
The IUPAC name of 2-chloro-N-pent-1-yn-3-ylpyridin-4-amine (CID 106232773) is 2-chloro-N-pent-1-yn-3-ylpyridin-4-amine.
What is the SMILES notation for 2-chloro-N-pent-1-yn-3-ylpyridin-4-amine?
The canonical SMILES for 2-chloro-N-pent-1-yn-3-ylpyridin-4-amine is C#CC(CC)Nc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-pent-1-yn-3-ylpyridin-4-amine?
The InChIKey is YGYWMUQAIPFBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-3-8(4-2)13-9-5-6-12-10(11)7-9/h1,5-8H,4H2,2H3,(H,12,13).
What are the key properties of 2-chloro-N-pent-1-yn-3-ylpyridin-4-amine?
2-chloro-N-pent-1-yn-3-ylpyridin-4-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 2-chloro-N-pent-1-yn-3-ylpyridin-4-amine is sourced from PubChem (CID 106232773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).