methyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate

C10H11BrN2O2 — CID 176578760

IUPACmethyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(Br)cc1NC1CC1
InChIInChI=1S/C10H11BrN2O2/c1-15-10(14)9-8(13-7-2-3-7)4-6(11)5-12-9/h4-5,7,13H,2-3H2,1H3
InChIKeyADIQTSHJKFXSPQ-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.20
Rot. Bonds3

About methyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate

methyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate (PubChem CID 176578760) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is methyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate
PubChem CID176578760
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Namemethyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(Br)cc1NC1CC1
InChIInChI=1S/C10H11BrN2O2/c1-15-10(14)9-8(13-7-2-3-7)4-6(11)5-12-9/h4-5,7,13H,2-3H2,1H3
InChIKeyADIQTSHJKFXSPQ-UHFFFAOYSA-N
XLogP2.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 5-bromopyridine-2,3-dicarboxylate
CID 53423993
methyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate
CID 171482658
methyl 5-bromo-3-(cyclopentylamino)-2-methylbenzoate
CID 70872494
methyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate
CID 148571308
methyl 4-bromo-2-fluoro-6-(oxan-4-ylamino)benzoate
CID 166637637
methyl 4-[(5-bromo-3-chloro-2-pyridinyl)amino]cyclohexane-1-carboxylate
CID 103583959
methyl 3-amino-5-cyclopropyloxypyridine-2-carboxylate
CID 169231845
5-bromo-N-cyclopropyl-3-fluoropyridine-2-carboxamide
CID 146026980
methyl 5-bromo-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carboxylate
CID 168708408
tert-butyl 3-[5-bromo-2-(cyclopropylamino)-3-pyridinyl]-3-oxopropanoate
CID 175556350
5-bromo-N-(4-methoxycyclohexyl)-3-nitropyridin-2-amine
CID 175928586
tert-butyl 4-(5-bromo-3-methoxycarbonyl-2-methylanilino)piperidine-1-carboxylate
CID 70872672

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate (CID 176578760) is methyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate is COC(=O)c1ncc(Br)cc1NC1CC1.
What is the InChIKey of methyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate?
The InChIKey is ADIQTSHJKFXSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-15-10(14)9-8(13-7-2-3-7)4-6(11)5-12-9/h4-5,7,13H,2-3H2,1H3.
What are the key properties of methyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate?
methyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate has a molecular weight of 271.11 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate is sourced from PubChem (CID 176578760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).