6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile

C11H8ClN3O — CID 155446033

IUPAC6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2nc(N)cc(Cl)c2C#N)o1
InChIInChI=1S/C11H8ClN3O/c1-6-2-3-9(16-6)11-7(5-13)8(12)4-10(14)15-11/h2-4H,1H3,(H2,14,15)
InChIKeyCNCYIAGJGKLCGJ-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.76
Rot. Bonds1

About 6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile

6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile (PubChem CID 155446033) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile
PubChem CID155446033
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2nc(N)cc(Cl)c2C#N)o1
InChIInChI=1S/C11H8ClN3O/c1-6-2-3-9(16-6)11-7(5-13)8(12)4-10(14)15-11/h2-4H,1H3,(H2,14,15)
InChIKeyCNCYIAGJGKLCGJ-UHFFFAOYSA-N
XLogP2.76
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
CID 18507302
3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
CID 155227739
2-amino-6-(4-fluorophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 665592
2-amino-4-(5-methylfuran-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 2047114
7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
CID 161139872
7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 25021021
(6S)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2020042
2-amino-6-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 4636256
4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
CID 116865160
2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3272817
2-amino-6-chloro-4-methylpyridine-3-carbonitrile
CID 5149878
6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 79729064

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile (CID 155446033) is 6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile is Cc1ccc(-c2nc(N)cc(Cl)c2C#N)o1.
What is the InChIKey of 6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The InChIKey is CNCYIAGJGKLCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c1-6-2-3-9(16-6)11-7(5-13)8(12)4-10(14)15-11/h2-4H,1H3,(H2,14,15).
What are the key properties of 6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile has a molecular weight of 233.66 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 155446033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).