methyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate

C13H10Cl2N2O2 — CID 133086998

IUPACmethyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10Cl2N2O2/c1-19-13(18)11-5-10(16)6-17-12(11)7-2-8(14)4-9(15)3-7/h2-6H,16H2,1H3
InChIKeyCGHWPVRWIIEYRJ-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.42
Rot. Bonds2

About methyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate

methyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate (PubChem CID 133086998) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is methyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate
PubChem CID133086998
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Namemethyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10Cl2N2O2/c1-19-13(18)11-5-10(16)6-17-12(11)7-2-8(14)4-9(15)3-7/h2-6H,16H2,1H3
InChIKeyCGHWPVRWIIEYRJ-UHFFFAOYSA-N
XLogP3.42
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635398
methyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate
CID 114047780
methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate
CID 162351959
methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate
CID 114047485
methyl 5-amino-2-chlorobenzoate
CID 5200412
methyl 5-amino-2-(4-amino-2-methoxycarbonyl-6-methylphenyl)-3-methylbenzoate
CID 11850314
dimethyl 2,5-diaminobenzene-1,3-dicarboxylate
CID 46260640
methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636559
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133090466
methyl 3-amino-2-(3,4,5-trichlorophenyl)pyridine-4-carboxylate
CID 134636195

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate (CID 133086998) is methyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate is COC(=O)c1cc(N)cnc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate?
The InChIKey is CGHWPVRWIIEYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-19-13(18)11-5-10(16)6-17-12(11)7-2-8(14)4-9(15)3-7/h2-6H,16H2,1H3.
What are the key properties of methyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate?
methyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate has a molecular weight of 297.14 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 133086998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).