6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile

C12H10Cl2N4 — CID 133380353

IUPAC6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile
SMILESCn1c(CNc2cccc(C#N)n2)cc(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N4/c1-18-9(5-10(13)12(18)14)7-16-11-4-2-3-8(6-15)17-11/h2-5H,7H2,1H3,(H,16,17)
InChIKeyTZHILUUCZCOYGK-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.21
Rot. Bonds3

About 6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile

6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile (PubChem CID 133380353) has the molecular formula C12H10Cl2N4 and a molecular weight of 281.15 g/mol. Its IUPAC name is 6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile
PubChem CID133380353
Molecular FormulaC12H10Cl2N4
Molecular Weight281.15 g/mol
Exact Mass280.03
IUPAC Name6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile
SMILESCn1c(CNc2cccc(C#N)n2)cc(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N4/c1-18-9(5-10(13)12(18)14)7-16-11-4-2-3-8(6-15)17-11/h2-5H,7H2,1H3,(H,16,17)
InChIKeyTZHILUUCZCOYGK-UHFFFAOYSA-N
XLogP3.21
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-3-carbonitrile
CID 133380342
6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 133380467
2-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-3-carbonitrile
CID 133380381
N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 133380368
6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 81090675
6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile
CID 64589167
6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile
CID 104727199
6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carbonitrile
CID 64588768
6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile
CID 133304782
6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 133392143
6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile
CID 62406600
6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile
CID 106398793

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile (CID 133380353) is 6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile is Cn1c(CNc2cccc(C#N)n2)cc(Cl)c1Cl.
What is the InChIKey of 6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile?
The InChIKey is TZHILUUCZCOYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4/c1-18-9(5-10(13)12(18)14)7-16-11-4-2-3-8(6-15)17-11/h2-5H,7H2,1H3,(H,16,17).
What are the key properties of 6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile?
6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile has a molecular weight of 281.15 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133380353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).