6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine

C14H11ClN2O — CID 114256473

IUPAC6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine
SMILESCc1cc(-c2cc3cccc(Cl)c3o2)ncc1N
InChIInChI=1S/C14H11ClN2O/c1-8-5-12(17-7-11(8)16)13-6-9-3-2-4-10(15)14(9)18-13/h2-7H,16H2,1H3
InChIKeyNPTFWPFJWQPBMP-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.04
Rot. Bonds1

About 6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine

6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine (PubChem CID 114256473) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine
PubChem CID114256473
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine
SMILESCc1cc(-c2cc3cccc(Cl)c3o2)ncc1N
InChIInChI=1S/C14H11ClN2O/c1-8-5-12(17-7-11(8)16)13-6-9-3-2-4-10(15)14(9)18-13/h2-7H,16H2,1H3
InChIKeyNPTFWPFJWQPBMP-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-(7-methyl-1-benzofuran-2-yl)pyridin-4-amine
CID 114731846
2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113759
5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine
CID 105371641
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine
CID 114735069
2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine
CID 114734336
4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770216
6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 114735030
4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde
CID 114732125
4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline
CID 114732001
6-(7-chloro-1-benzofuran-2-yl)-1H-pyrimidin-2-one
CID 106521970
5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734623
6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one
CID 106521969

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine?
The IUPAC name of 6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine (CID 114256473) is 6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine.
What is the SMILES notation for 6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine?
The canonical SMILES for 6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine is Cc1cc(-c2cc3cccc(Cl)c3o2)ncc1N.
What is the InChIKey of 6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine?
The InChIKey is NPTFWPFJWQPBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-8-5-12(17-7-11(8)16)13-6-9-3-2-4-10(15)14(9)18-13/h2-7H,16H2,1H3.
What are the key properties of 6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine?
6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-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 6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine is sourced from PubChem (CID 114256473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).