N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide

C12H9BrClN3O — CID 112750056

IUPACN-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)cnc2Br)ccn1
InChIInChI=1S/C12H9BrClN3O/c1-7-4-8(2-3-15-7)12(18)17-10-5-9(14)6-16-11(10)13/h2-6H,1H3,(H,17,18)
InChIKeyQNNQKSQCUNFNPN-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.45
Rot. Bonds2

About N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide

N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide (PubChem CID 112750056) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide
PubChem CID112750056
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC NameN-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)cnc2Br)ccn1
InChIInChI=1S/C12H9BrClN3O/c1-7-4-8(2-3-15-7)12(18)17-10-5-9(14)6-16-11(10)13/h2-6H,1H3,(H,17,18)
InChIKeyQNNQKSQCUNFNPN-UHFFFAOYSA-N
XLogP3.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-chloro-3-pyridinyl)acetamide
CID 130535452
N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106753102
N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide
CID 106753963
2-bromo-N-(2-bromo-5-chloro-3-pyridinyl)acetamide
CID 130535402
5-methyl-2-[(2-methylpyridine-4-carbonyl)amino]benzoic acid
CID 106752492
N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
N-(2-bromo-5-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81272102
3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide
CID 110678414
2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide
CID 103751745
dichloromethane;2-methylpyridine-4-carbohydrazide
CID 157362616
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide
CID 106752394

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide (CID 112750056) is N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2cc(Cl)cnc2Br)ccn1.
What is the InChIKey of N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide?
The InChIKey is QNNQKSQCUNFNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c1-7-4-8(2-3-15-7)12(18)17-10-5-9(14)6-16-11(10)13/h2-6H,1H3,(H,17,18).
What are the key properties of N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide?
N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide has a molecular weight of 326.58 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 112750056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).