5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine

C14H11ClN2O — CID 114733092

IUPAC5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine
SMILESCc1ccc2oc(-c3cc(Cl)cnc3N)cc2c1
InChIInChI=1S/C14H11ClN2O/c1-8-2-3-12-9(4-8)5-13(18-12)11-6-10(15)7-17-14(11)16/h2-7H,1H3,(H2,16,17)
InChIKeyZOTBGPREQFBUNA-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.04
Rot. Bonds1

About 5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine

5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine (PubChem CID 114733092) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine
PubChem CID114733092
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine
SMILESCc1ccc2oc(-c3cc(Cl)cnc3N)cc2c1
InChIInChI=1S/C14H11ClN2O/c1-8-2-3-12-9(4-8)5-13(18-12)11-6-10(15)7-17-14(11)16/h2-7H,1H3,(H2,16,17)
InChIKeyZOTBGPREQFBUNA-UHFFFAOYSA-N
XLogP4.04
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline
CID 114731877
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine
CID 83240225
4-chloro-2-(5-methyl-1-benzofuran-2-yl)pyridine
CID 102825203
5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 105371620
2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine
CID 114734095
4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine
CID 114734506
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114729955
4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 114734113
3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline
CID 107626948
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734119
1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732238

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine (CID 114733092) is 5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine is Cc1ccc2oc(-c3cc(Cl)cnc3N)cc2c1.
What is the InChIKey of 5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine?
The InChIKey is ZOTBGPREQFBUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-8-2-3-12-9(4-8)5-13(18-12)11-6-10(15)7-17-14(11)16/h2-7H,1H3,(H2,16,17).
What are the key properties of 5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine?
5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine has a molecular weight of 258.71 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine is sourced from PubChem (CID 114733092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).