methyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate

C14H14ClN3O3 — CID 171486910

IUPACmethyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccncc2OC)cc(CN)nc1Cl
InChIInChI=1S/C14H14ClN3O3/c1-20-11-7-17-4-3-9(11)10-5-8(6-16)18-13(15)12(10)14(19)21-2/h3-5,7H,6,16H2,1-2H3
InChIKeyWJFJWZKIZGTOSW-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.05
Rot. Bonds4

About methyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate

methyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate (PubChem CID 171486910) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is methyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate
PubChem CID171486910
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Namemethyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccncc2OC)cc(CN)nc1Cl
InChIInChI=1S/C14H14ClN3O3/c1-20-11-7-17-4-3-9(11)10-5-8(6-16)18-13(15)12(10)14(19)21-2/h3-5,7H,6,16H2,1-2H3
InChIKeyWJFJWZKIZGTOSW-UHFFFAOYSA-N
XLogP2.05
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate
CID 175549620
4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53229506
methyl 4-methylpyridine-3-carboxylate
CID 10877301
3-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazole-5-sulfonyl chloride
CID 105064798
5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 105064288
dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate
CID 140974219
1-chloro-4-methylbenzene;methyl 3-(2-aminoethoxy)pyridine-4-carboxylate
CID 145267949
methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 106820046
methyl 3-chloropyridine-4-carboxylate
CID 15324397
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877516
methyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate
CID 79079553

Frequently Asked Questions

What is the IUPAC name of methyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate (CID 171486910) is methyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate is COC(=O)c1c(-c2ccncc2OC)cc(CN)nc1Cl.
What is the InChIKey of methyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate?
The InChIKey is WJFJWZKIZGTOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-20-11-7-17-4-3-9(11)10-5-8(6-16)18-13(15)12(10)14(19)21-2/h3-5,7H,6,16H2,1-2H3.
What are the key properties of methyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate?
methyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate has a molecular weight of 307.74 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate is sourced from PubChem (CID 171486910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).