6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine

C11H13ClN4 — CID 63587851

IUPAC6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
SMILESCn1ccnc1CCNc1cccc(Cl)n1
InChIInChI=1S/C11H13ClN4/c1-16-8-7-14-11(16)5-6-13-10-4-2-3-9(12)15-10/h2-4,7-8H,5-6H2,1H3,(H,13,15)
InChIKeyOUUHUBXGNDTSMO-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.12
Rot. Bonds4

About 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine

6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine (PubChem CID 63587851) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
PubChem CID63587851
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
SMILESCn1ccnc1CCNc1cccc(Cl)n1
InChIInChI=1S/C11H13ClN4/c1-16-8-7-14-11(16)5-6-13-10-4-2-3-9(12)15-10/h2-4,7-8H,5-6H2,1H3,(H,13,15)
InChIKeyOUUHUBXGNDTSMO-UHFFFAOYSA-N
XLogP2.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527594
4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62870794
2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527510
3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527468
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542
5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 79556038
2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527496
6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 66327115
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine
CID 80829255
3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 102750907
2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956295
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80913707

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine (CID 63587851) is 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine is Cn1ccnc1CCNc1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine?
The InChIKey is OUUHUBXGNDTSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-16-8-7-14-11(16)5-6-13-10-4-2-3-9(12)15-10/h2-4,7-8H,5-6H2,1H3,(H,13,15).
What are the key properties of 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine?
6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine has a molecular weight of 236.71 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 63587851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).