4-chloro-3-methylpyridine-2,6-diamine

C6H8ClN3 — CID 176946616

IUPAC4-chloro-3-methylpyridine-2,6-diamine
SMILESCc1c(Cl)cc(N)nc1N
InChIInChI=1S/C6H8ClN3/c1-3-4(7)2-5(8)10-6(3)9/h2H,1H3,(H4,8,9,10)
InChIKeyMRJPPIFCIKKDGD-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.21
Rot. Bonds

About 4-chloro-3-methylpyridine-2,6-diamine

4-chloro-3-methylpyridine-2,6-diamine (PubChem CID 176946616) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is 4-chloro-3-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name4-chloro-3-methylpyridine-2,6-diamine
PubChem CID176946616
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Name4-chloro-3-methylpyridine-2,6-diamine
SMILESCc1c(Cl)cc(N)nc1N
InChIInChI=1S/C6H8ClN3/c1-3-4(7)2-5(8)10-6(3)9/h2H,1H3,(H4,8,9,10)
InChIKeyMRJPPIFCIKKDGD-UHFFFAOYSA-N
XLogP1.21
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylpyridine-2,6-diamine?
The IUPAC name of 4-chloro-3-methylpyridine-2,6-diamine (CID 176946616) is 4-chloro-3-methylpyridine-2,6-diamine.
What is the SMILES notation for 4-chloro-3-methylpyridine-2,6-diamine?
The canonical SMILES for 4-chloro-3-methylpyridine-2,6-diamine is Cc1c(Cl)cc(N)nc1N.
What is the InChIKey of 4-chloro-3-methylpyridine-2,6-diamine?
The InChIKey is MRJPPIFCIKKDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3/c1-3-4(7)2-5(8)10-6(3)9/h2H,1H3,(H4,8,9,10).
What are the key properties of 4-chloro-3-methylpyridine-2,6-diamine?
4-chloro-3-methylpyridine-2,6-diamine has a molecular weight of 157.60 g/mol, XLogP of 1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylpyridine-2,6-diamine is sourced from PubChem (CID 176946616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).