2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate

C14H17ClN4O2 — CID 165095154

IUPAC2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nccc(N)c1C.Cc1c(N)ccnc1Cl
InChIInChI=1S/C8H10N2O2.C6H7ClN2/c1-5-6(9)3-4-10-7(5)8(11)12-2;1-4-5(8)2-3-9-6(4)7/h3-4H,1-2H3,(H2,9,10);2-3H,1H3,(H2,8,9)
InChIKeyXJKMNUKQMHFNEC-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.38
Rot. Bonds1

About 2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate

2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate (PubChem CID 165095154) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate.

Molecular Properties

Compound Name2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate
PubChem CID165095154
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nccc(N)c1C.Cc1c(N)ccnc1Cl
InChIInChI=1S/C8H10N2O2.C6H7ClN2/c1-5-6(9)3-4-10-7(5)8(11)12-2;1-4-5(8)2-3-9-6(4)7/h3-4H,1-2H3,(H2,9,10);2-3H,1H3,(H2,8,9)
InChIKeyXJKMNUKQMHFNEC-UHFFFAOYSA-N
XLogP2.38
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate?
The IUPAC name of 2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate (CID 165095154) is 2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate.
What is the SMILES notation for 2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate?
The canonical SMILES for 2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate is COC(=O)c1nccc(N)c1C.Cc1c(N)ccnc1Cl.
What is the InChIKey of 2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate?
The InChIKey is XJKMNUKQMHFNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C6H7ClN2/c1-5-6(9)3-4-10-7(5)8(11)12-2;1-4-5(8)2-3-9-6(4)7/h3-4H,1-2H3,(H2,9,10);2-3H,1H3,(H2,8,9).
What are the key properties of 2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate?
2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate has a molecular weight of 308.77 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate is sourced from PubChem (CID 165095154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).