5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine

C11H12Cl2N4 — CID 62886659

IUPAC5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(Cn2cc(Cl)cn2)n1
InChIInChI=1S/C11H12Cl2N4/c1-2-14-11-4-3-9(13)10(16-11)7-17-6-8(12)5-15-17/h3-6H,2,7H2,1H3,(H,14,16)
InChIKeyDHOAFPPGCHHNFP-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.07
Rot. Bonds4

About 5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine

5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine (PubChem CID 62886659) has the molecular formula C11H12Cl2N4 and a molecular weight of 271.15 g/mol. Its IUPAC name is 5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
PubChem CID62886659
Molecular FormulaC11H12Cl2N4
Molecular Weight271.15 g/mol
Exact Mass270.04
IUPAC Name5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(Cn2cc(Cl)cn2)n1
InChIInChI=1S/C11H12Cl2N4/c1-2-14-11-4-3-9(13)10(16-11)7-17-6-8(12)5-15-17/h3-6H,2,7H2,1H3,(H,14,16)
InChIKeyDHOAFPPGCHHNFP-UHFFFAOYSA-N
XLogP3.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine (CID 62886659) is 5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine is CCNc1ccc(Cl)c(Cn2cc(Cl)cn2)n1.
What is the InChIKey of 5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The InChIKey is DHOAFPPGCHHNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4/c1-2-14-11-4-3-9(13)10(16-11)7-17-6-8(12)5-15-17/h3-6H,2,7H2,1H3,(H,14,16).
What are the key properties of 5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine?
5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine has a molecular weight of 271.15 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 62886659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).