4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide

C8H7BrF2N2O2 — CID 118816904

IUPAC4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(C(F)F)c(Br)c1C(N)=O
InChIInChI=1S/C8H7BrF2N2O2/c1-15-8-4(7(12)14)5(9)3(2-13-8)6(10)11/h2,6H,1H3,(H2,12,14)
InChIKeyMQBUORQHSGHVAM-UHFFFAOYSA-N
MW281.06 g/mol
LogP1.89
Rot. Bonds3

About 4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide

4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide (PubChem CID 118816904) has the molecular formula C8H7BrF2N2O2 and a molecular weight of 281.06 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide
PubChem CID118816904
Molecular FormulaC8H7BrF2N2O2
Molecular Weight281.06 g/mol
Exact Mass279.97
IUPAC Name4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(C(F)F)c(Br)c1C(N)=O
InChIInChI=1S/C8H7BrF2N2O2/c1-15-8-4(7(12)14)5(9)3(2-13-8)6(10)11/h2,6H,1H3,(H2,12,14)
InChIKeyMQBUORQHSGHVAM-UHFFFAOYSA-N
XLogP1.89
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.06
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide
CID 119011099
5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid
CID 130085798
ethyl 4-chloro-5-(difluoromethyl)-2-methoxypyridine-3-carboxylate
CID 134674054
ethyl 2,4-dibromo-5-(difluoromethyl)pyridine-3-carboxylate
CID 134683196
2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide
CID 118999675
methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate
CID 133103370
4-(difluoromethyl)-5-iodo-6-methoxypyridine-3-carboxamide
CID 118846499
2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid
CID 133085256
5-bromo-2-methoxypyridine-3-carboxamide
CID 70281718
4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118845722
methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130110498
methyl 4-(difluoromethyl)-2,5-dimethoxypyridine-3-carboxylate
CID 134684678

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of 4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide (CID 118816904) is 4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide is COc1ncc(C(F)F)c(Br)c1C(N)=O.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide?
The InChIKey is MQBUORQHSGHVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O2/c1-15-8-4(7(12)14)5(9)3(2-13-8)6(10)11/h2,6H,1H3,(H2,12,14).
What are the key properties of 4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide?
4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide has a molecular weight of 281.06 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 118816904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).