3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine

C12H13ClN2O — CID 60701648

IUPAC3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine
SMILESCc1ccc(C(C)Nc2ncccc2Cl)o1
InChIInChI=1S/C12H13ClN2O/c1-8-5-6-11(16-8)9(2)15-12-10(13)4-3-7-14-12/h3-7,9H,1-2H3,(H,14,15)
InChIKeyQXORXSQRKYGEFD-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.81
Rot. Bonds3

About 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine

3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine (PubChem CID 60701648) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine
PubChem CID60701648
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine
SMILESCc1ccc(C(C)Nc2ncccc2Cl)o1
InChIInChI=1S/C12H13ClN2O/c1-8-5-6-11(16-8)9(2)15-12-10(13)4-3-7-14-12/h3-7,9H,1-2H3,(H,14,15)
InChIKeyQXORXSQRKYGEFD-UHFFFAOYSA-N
XLogP3.81
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine (CID 60701648) is 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine is Cc1ccc(C(C)Nc2ncccc2Cl)o1.
What is the InChIKey of 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine?
The InChIKey is QXORXSQRKYGEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8-5-6-11(16-8)9(2)15-12-10(13)4-3-7-14-12/h3-7,9H,1-2H3,(H,14,15).
What are the key properties of 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine?
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine has a molecular weight of 236.70 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 60701648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).