methyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate

C13H10Cl2N2O2 — CID 133087227

IUPACmethyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2cc(Cl)ccc2Cl)c1N
InChIInChI=1S/C13H10Cl2N2O2/c1-19-13(18)8-4-5-17-12(11(8)16)9-6-7(14)2-3-10(9)15/h2-6H,16H2,1H3
InChIKeyQTVLUHFCBCQNIP-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.42
Rot. Bonds2

About methyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate

methyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate (PubChem CID 133087227) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is methyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate
PubChem CID133087227
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Namemethyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2cc(Cl)ccc2Cl)c1N
InChIInChI=1S/C13H10Cl2N2O2/c1-19-13(18)8-4-5-17-12(11(8)16)9-6-7(14)2-3-10(9)15/h2-6H,16H2,1H3
InChIKeyQTVLUHFCBCQNIP-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 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636559
methyl 3-amino-2-(3,4,5-trichlorophenyl)pyridine-4-carboxylate
CID 134636195
methyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate
CID 91452201
methyl 3-amino-2-(4-bromo-3-chloroanilino)pyridine-4-carboxylate
CID 107615651
methyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate
CID 107809760
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
methyl 5-amino-2-chlorobenzoate
CID 5200412
methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate
CID 178038672
methyl 5,6,8-trichloroquinoline-4-carboxylate
CID 102941704
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864
[3-amino-2-(2-methoxyphenyl)-4-pyridinyl]-(2-chlorophenyl)methanone
CID 24744662

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate (CID 133087227) is methyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate is COC(=O)c1ccnc(-c2cc(Cl)ccc2Cl)c1N.
What is the InChIKey of methyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate?
The InChIKey is QTVLUHFCBCQNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-19-13(18)8-4-5-17-12(11(8)16)9-6-7(14)2-3-10(9)15/h2-6H,16H2,1H3.
What are the key properties of methyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate?
methyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-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 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate is sourced from PubChem (CID 133087227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).