4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine

C10H13ClN2 — CID 170486654

IUPAC4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine
SMILESCc1cc(Cl)cnc1C=CCCN
InChIInChI=1S/C10H13ClN2/c1-8-6-9(11)7-13-10(8)4-2-3-5-12/h2,4,6-7H,3,5,12H2,1H3
InChIKeyAYXUULPTQALXKE-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.41
Rot. Bonds3

About 4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine

4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine (PubChem CID 170486654) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine
PubChem CID170486654
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine
SMILESCc1cc(Cl)cnc1C=CCCN
InChIInChI=1S/C10H13ClN2/c1-8-6-9(11)7-13-10(8)4-2-3-5-12/h2,4,6-7H,3,5,12H2,1H3
InChIKeyAYXUULPTQALXKE-UHFFFAOYSA-N
XLogP2.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine?
The IUPAC name of 4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine (CID 170486654) is 4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine.
What is the SMILES notation for 4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine?
The canonical SMILES for 4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine is Cc1cc(Cl)cnc1C=CCCN.
What is the InChIKey of 4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine?
The InChIKey is AYXUULPTQALXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-8-6-9(11)7-13-10(8)4-2-3-5-12/h2,4,6-7H,3,5,12H2,1H3.
What are the key properties of 4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine?
4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine has a molecular weight of 196.68 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine is sourced from PubChem (CID 170486654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).