3-chloro-N-hex-5-ynylpyridin-4-amine

C11H13ClN2 — CID 103757339

IUPAC3-chloro-N-hex-5-ynylpyridin-4-amine
SMILESC#CCCCCNc1ccncc1Cl
InChIInChI=1S/C11H13ClN2/c1-2-3-4-5-7-14-11-6-8-13-9-10(11)12/h1,6,8-9H,3-5,7H2,(H,13,14)
InChIKeyQFFLMSNKGJCPOL-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.95
Rot. Bonds5

About 3-chloro-N-hex-5-ynylpyridin-4-amine

3-chloro-N-hex-5-ynylpyridin-4-amine (PubChem CID 103757339) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 3-chloro-N-hex-5-ynylpyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-hex-5-ynylpyridin-4-amine
PubChem CID103757339
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name3-chloro-N-hex-5-ynylpyridin-4-amine
SMILESC#CCCCCNc1ccncc1Cl
InChIInChI=1S/C11H13ClN2/c1-2-3-4-5-7-14-11-6-8-13-9-10(11)12/h1,6,8-9H,3-5,7H2,(H,13,14)
InChIKeyQFFLMSNKGJCPOL-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-hex-5-ynylpyridine-3,4-diamine
CID 106215733
3-chloro-N-(6-chlorohexyl)pyridin-4-amine
CID 107846107
3-chloro-N-(4-methylpentyl)pyridin-4-amine
CID 79839670
3-chloro-N-(3-phenylpropyl)pyridin-4-amine
CID 79770520
3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine
CID 106306323
methyl 6-[(3-chloro-4-pyridinyl)amino]hexanoate
CID 79840643
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155235
6-chloro-N-hex-5-ynylpyrazin-2-amine
CID 103757390
3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine
CID 115680988
3-chloro-4-(pent-4-ynylamino)benzonitrile
CID 103878417
2-chloro-4-nitro-N-pent-4-ynylaniline
CID 103704363

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-hex-5-ynylpyridin-4-amine?
The IUPAC name of 3-chloro-N-hex-5-ynylpyridin-4-amine (CID 103757339) is 3-chloro-N-hex-5-ynylpyridin-4-amine.
What is the SMILES notation for 3-chloro-N-hex-5-ynylpyridin-4-amine?
The canonical SMILES for 3-chloro-N-hex-5-ynylpyridin-4-amine is C#CCCCCNc1ccncc1Cl.
What is the InChIKey of 3-chloro-N-hex-5-ynylpyridin-4-amine?
The InChIKey is QFFLMSNKGJCPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-2-3-4-5-7-14-11-6-8-13-9-10(11)12/h1,6,8-9H,3-5,7H2,(H,13,14).
What are the key properties of 3-chloro-N-hex-5-ynylpyridin-4-amine?
3-chloro-N-hex-5-ynylpyridin-4-amine has a molecular weight of 208.69 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-hex-5-ynylpyridin-4-amine is sourced from PubChem (CID 103757339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).