5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine

C8H12ClN3 — CID 62893036

IUPAC5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine
SMILESCN(C)Cc1nc(N)ccc1Cl
InChIInChI=1S/C8H12ClN3/c1-12(2)5-7-6(9)3-4-8(10)11-7/h3-4H,5H2,1-2H3,(H2,10,11)
InChIKeyOMGPCVZFDNSBRV-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.38
Rot. Bonds2

About 5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine

5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine (PubChem CID 62893036) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine
PubChem CID62893036
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine
SMILESCN(C)Cc1nc(N)ccc1Cl
InChIInChI=1S/C8H12ClN3/c1-12(2)5-7-6(9)3-4-8(10)11-7/h3-4H,5H2,1-2H3,(H2,10,11)
InChIKeyOMGPCVZFDNSBRV-UHFFFAOYSA-N
XLogP1.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine (CID 62893036) is 5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine is CN(C)Cc1nc(N)ccc1Cl.
What is the InChIKey of 5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine?
The InChIKey is OMGPCVZFDNSBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-12(2)5-7-6(9)3-4-8(10)11-7/h3-4H,5H2,1-2H3,(H2,10,11).
What are the key properties of 5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine?
5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine has a molecular weight of 185.66 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62893036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).